SCHEMBL4371015

SCHEMBL4371015

CCCCCCCCCCCCc1ccccc1.O=C([O-])CC(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.43
CA1 known ✓ P00915 1/20 0.43
CA2 known ✓ P00918 1/20 0.43
THRA known ✓ P10827 1/20 0.41
THRB known ✓ P10828 1/20 0.41
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
S1PR2 O95136 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 1/20 0.44
GPR84 Q9NQS5 2/20 0.43

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
SCHEMBL4371010 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28036281 0.84 BID (0.45) KMT2AMEN1MAPT
SCHEMBL30753415 0.84 BID (0.45) KMT2AMEN1MAPT
Octane SCHEMBL28131914 0.84 CA2 (0.46) GPR84CA1CA2
Hexadecane SCHEMBL9858216 0.84 CA2 (0.46) GPR84CA1CA2
Hexadecane SCHEMBL9858214 0.84 CA2 (0.46) GPR84CA1CA2
Dodecane SCHEMBL27642194 0.84 CA2 (0.46) GPR84CA1CA2
Tridecane SCHEMBL27760718 0.84 CA2 (0.46) GPR84CA1CA2
SCHEMBL9712058 0.81 HDAC1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7094341 0.81 S1PR2 (0.52) S1PR2S1PR1S1PR3HPGDKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758663-B2 Thermoplastic resin powder and method for producing same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-09-12 US disclosed
EP-2942360-B1 THERMOPLASTIC RESIN POWDER AND METHOD FOR PRODUCING SAME MITSUBISHI CHEM CORP (JP) 2017-07-26 EP disclosed
US-20150337127-A1 Thermoplastic Resin Powder and Method for Producing Same MITSUBISHI RAYON CO., LTD. (JP) 2015-11-26 US disclosed
EP-2942360-A1 THERMOPLASTIC RESIN POWDER AND METHOD FOR PRODUCING SAME Mitsubishi Rayon Co., Ltd. (JP) 2015-11-11 EP disclosed
US-7618920-B2 Thermal recording sheet and thermal recording sheet pack OJI PAPER CO., LTD. (JP) 2009-11-17 US disclosed
EP-1685972-B1 THERMAL RECORDING SHEET AND THERMAL RECORDING SHEET PACK OJI PAPER CO (JP) 2008-12-17 EP disclosed
US-7354884-B2 Thermal recording material OJI PAPER CO., LTD. (JP) 2008-04-08 US disclosed
EP-1538005-B1 THERMAL RECORDING MATERIAL OJI PAPER CO (JP) 2008-03-26 EP disclosed
US-20070203023-A1 Thermal Recording Sheet And Thermal Recording Sheet Pack OJI PAPER CO., LTD. (JP) 2007-08-30 US disclosed
EP-1685972-A1 THERMAL RECORDING SHEET AND THERMAL RECORDING SHEET PACK Oji Paper Co., Ltd. (JP) 2006-08-02 EP disclosed
US-20050239646-A1 Thermal recording material OJI PAPER CO., LTD. (JP) 2005-10-27 US disclosed
EP-1538005-A1 THERMAL RECORDING MATERIAL Oji Paper Co., Ltd. (JP) 2005-06-08 EP disclosed
EP-0399831-B1 Heat-sensitive recording material OJI PAPER CO (JP) 1994-02-09 EP disclosed
US-5081098-A Storage stability, two phenolic developers OJI PAPER CO., LTD. (JP) 1992-01-14 US disclosed
EP-0399831-A1 Heat-sensitive recording material OJI PAPER COMPANY LIMITED (JP) 1990-11-28 EP disclosed