SCHEMBL2200602

SCHEMBL2200602

Cc1cc(C)c(C(=O)c2ccccc2[PH](=O)[O-])c(C)c1.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
METAP2 P50579 1/20 0.35
CRHR1 P34998 2/20 0.33
UHRF1 Q96T88 1/20 0.33
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Lithium Ion SCHEMBL28429923 0.97 KMT2A (0.38) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL3685860 0.86 KMT2A (0.40) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL1468442 0.84 KMT2A (0.40) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL1138265 0.81 KMT2A (0.42) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL2141201 0.81 KMT2A (0.37) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL914117 0.81 ABCB1 (0.41) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL28258477 0.80 KMT2A (0.47) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL31162431 0.78 ABCB1 (0.39) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL28242774 0.78 KMT2A (0.46) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL49653 0.77 KMT2A (0.40) KMT2AMEN1HPGDLMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906441-A1 LIQUID PHOTOPOLYMER RESIN COMPOSITIONS FOR FLEXOGRAPHIC PRINTING Macdermid Graphics Solutions, LLC (US) 2021-11-10 EP disclosed
CN-113227902-A Liquid photopolymer resin composition for flexographic printing 麦克德米德图像方案股份有限公司 2021-08-06 CN disclosed
WO-2020142579-A1 LIQUID PHOTOPOLYMER RESIN COMPOSITIONS FOR FLEXOGRAPHIC PRINTING MACDERMID GRAPHICS SOLUTIONS, LLC (US) 2020-07-09 WO disclosed
US-20200207142-A1 Liquid Photopolymer Resin Compositions for Flexographic Printing MACDERMID GRAPHICS SOLUTIONS LLC 2020-07-02 US disclosed
EP-1734088-B1 ACTIVE ENERGY RADIATION HARDENABLE WATER BASE INK COMPOSITION AND UTILIZING THE SAME, METHOD OF INKJET RECORDING, INK CARTRIDGE, RECORDING UNIT AND INKJET RECORDING APPARATUS CANON KK (JP) 2015-05-13 EP disclosed
US-7976148-B2 Active energy ray curable aqueous ink composition, and inkjet recording method, ink cartridge, recording unit, and inkjet recording apparatus using the same CANON KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-20090136680-A1 ACTIVE ENERGY RAY CURABLE AQUEOUS INK COMPOSITION, AND INKJET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INKJET RECORDING APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-7503649-B2 Active energy ray curable aqueous ink composition, and inkjet recording method, ink cartridge, recording unit, and inkjet recording apparatus using the same CANON KABUSHIKI KAISHA (JP) 2009-03-17 US disclosed
EP-1734088-A1 ACTIVE ENERGY RADIATION HARDENABLE WATER BASE INK COMPOSITION AND UTILIZING THE SAME, METHOD OF INKJET RECORDING, INK CARTRIDGE, RECORDING UNIT AND INKJET RECORDING APPARATUS Canon Kabushiki Kaisha (JP) 2006-12-20 EP disclosed
EP-1057468-B1 Adhesive composition and method for producing it KURARAY CO (JP) 2006-07-19 EP disclosed
US-4994344-A Photopolmymerized flexographic refief plates; chemical and ozone resistance; EPDM binder, initiator, unsaturated compound and thermally-initiated polymerization inhibitor and or antioxidant BASF AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
US-4970134-A Mixture crosslinkable by photopolymerization BASF AKTIENGESELLSCHAFT (DE) 1990-11-13 US disclosed
US-4946758-A RELIEF IMAGE FORMING LAYER; HIGH TENSILE STRENGTH POLYMER AND COVERING BASF AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed
US-4921775-A Elements having layers containing mixtures which can be crosslinked by photopolymerization BASF AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4916045-A Printing plates, relief images, photoresists BASF AKTIENGESELLSCHAFT (DE) 1990-04-10 US disclosed
US-4900795-A PHOTOPOLMERIZABLE POLYMER COMPRISING ETHYLENE, (METH)ACRYLIC ACID AND VINYL OR ACRYLATE MONOMER NEUTRALIZED BY A CYCLIC AMINE OR HYDROXY-CONTAINING AMINE; PHOTORESISTS; PRINTING PLATES; OZONE RESISTANCE; ELONGATION; TENSILE STRENGTH BASF AKTIENGESELLSCHAFT (DE) 1990-02-13 US disclosed
US-4877715-A STORAGE STABLE, NONTACKY, FLEXIBLE BASF AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
US-4777115-A PHOTOINITIATOR, UNSATURATED MONOMERS; LIGHT SENSITIVE ELEMENTS BASF AKTIENGESELLSCHAFT (DE) 1988-10-11 US disclosed
US-4719297-A Acylphosphine compounds and their use as photoinitiators BASF AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
US-4517277-A Photosensitive recording material suitable for the production of printing plates and relief plates, and the production of these plates using this recording material BASF AKTIENGESELLSCHAFT (DE) 1985-05-14 US disclosed