SCHEMBL1350281

SCHEMBL1350281

CCCCC(CC)CC(CC(=O)[O-])(CC(CC)CCCC)C(=O)OS(=O)(=O)O.[Na+]

nearest known ligand 0.47

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 14)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 5/20 0.47
CA1 known ✓ P00915 3/20 0.33
RECQL P46063 1/20 0.39
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NFKB1 P19838 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
Silver SCHEMBL7532091 0.97 CA2 (0.44) CA2RECQLCYP3A4TSHRTDP1
SCHEMBL4961431 0.88 RECQL (0.39) CA2RECQLCYP3A4TSHRTDP1
SCHEMBL10420759 0.83 CA2 (0.46) CA2RECQLCYP3A4TSHRTDP1
SCHEMBL5254621 0.81 CA2 (0.51) CA2RECQLCYP3A4TSHRTDP1
SCHEMBL1423320 0.80 CA2 (0.57) CA2CYP3A4TSHRTDP1ATM
SCHEMBL1984429 0.79 CES2 (0.37) RECQLTSHRATMCA1L3MBTL1
SCHEMBL486057 0.79 CES2 (0.37) RECQLTSHRATMCA1L3MBTL1
SCHEMBL10430528 0.79 CES2 (0.37) RECQLTSHRATMCA1L3MBTL1
SCHEMBL788087 0.79 CES2 (0.37) RECQLTSHRATMCA1L3MBTL1
SCHEMBL6848142 0.79 CES2 (0.37) RECQLTSHRATMCA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024038471-A1 ORAL FORMULATIONS OF EDARAVONE AND IMPROVED METHOD OF MANUFACTURING THEREOF BDR PHARMACEUTICALS INTERNATIONAL PRIVATE LIMITED (IN) 2024-02-22 WO claimed
US-10414932-B2 Ink, ink container, and inkjet recording device RICOH COMPANY, LTD. (JP) 2019-09-17 US claimed
WO-2012125486-A1 COMBINATION CHEMOTHERAPY FOR TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-20 WO claimed
JP-2011530069-A 2011-12-15 JP claimed
EP-2318815-A1 FREEZE INDICATORS, COMPONENTS THEREFOR AND PREPARATIVE PROCESSES Temptime Corporation (US) 2011-05-11 EP claimed
WO-2010014730-A1 FREEZE INDICATORS, COMPONENTS THEREFOR AND PREPARATIVE PROCESSES TEMPTIME CORPORATION (US) 2010-02-04 WO claimed
US-20050215700-A1 Bicomponent adhesive with improved heat resistance and extended pot life NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2005-09-29 US claimed
EP-1580244-A2 Bicomponent adhesive with improved heat resistance and extended pot life National Starch and Chemical Investment Holding Corporation (US) 2005-09-28 EP claimed
EP-0380154-B1 Process for the catalytic hydroformylation of olefins ENIRICERCHE SPA (IT) 1994-03-09 EP claimed
EP-0380154-A2 Process for the catalytic hydroformylation of olefins ENIRICERCHE S.p.A. (IT) 1990-08-01 EP claimed
WO-2024038471-A1 ORAL FORMULATIONS OF EDARAVONE AND IMPROVED METHOD OF MANUFACTURING THEREOF BDR PHARMACEUTICALS INTERNATIONAL PRIVATE LIMITED (IN) 2024-02-22 WO disclosed
CN-117357410-A Hair nourishing composition and application thereof 北京仁生泽发生物技术有限公司 2024-01-09 CN disclosed
EP-4157953-A1 WHITE INK, NON-WHITE INK, INK SET, PRINTING SET, PRINTING METHOD, AND PRINTING APPARATUS Ricoh Company, Ltd. (JP) 2023-04-05 EP disclosed
EP-4110365-A2 FIDGETIN-LIKE 2 AS A TARGET TO ENHANCE WOUND HEALING Microcures, Inc. (US) 2023-01-04 EP disclosed
WO-2022246070-A1 NEEDLE ADAPTOR FOR PLASMA GENERATING HANDPIECE RELATED APPLICATION Clear Intradermal Technologies, Inc. (US) 2022-11-24 WO disclosed
EP-0558584-A1 A GEL-FORMING LIQUID DIETARY FIBRE COMPOSITION. KABI PHARMACIA AB (SE) 1993-09-08 EP disclosed
WO-1992009212-A1 A GEL-FORMING LIQUID DIETARY FIBRE COMPOSITION KABI PHARMACIA AB (SE) 1992-06-11 WO disclosed
US-4996366-A Process for the catalytic hydroformylation of olefins ENIRICERCHE S.P.A (IT) 1991-02-26 US disclosed
EP-0380154-A2 Process for the catalytic hydroformylation of olefins ENIRICERCHE S.p.A. (IT) 1990-08-01 EP disclosed
US-4837136-A DISPERSIBILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-06-06 US disclosed