SCHEMBL8664404

SCHEMBL8664404

CCCCCCCCCCc1cccc(C(=O)O)c1C(=O)[O-].[Na+]

nearest known ligand 0.61

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
PPARG known ✓ P37231 2/20 0.61
BID P55957 7/20 0.61
MCL1 Q07820 7/20 0.61
BCL2L1 Q07817 6/20 0.61
BAK1 Q16611 6/20 0.61
KAT8 Q9H7Z6 3/20 0.61
PPARA Q07869 3/20 0.61
SAE1 Q9UBE0 2/20 0.61
EP300 Q09472 2/20 0.61
KAT5 Q92993 2/20 0.61
KAT2A Q92830 1/20 0.61
KAT2B Q92831 1/20 0.61
F7 P08709 3/20 0.53
F3 P13726 3/20 0.53
MMP2 P08253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
ECE1 P42892 1/20 0.53
SGMS1 Q86VZ5 1/20 0.53

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
SCHEMBL4656620 1.00 BID (0.61) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11195645 0.91 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9451804 0.88 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL23277 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL10767415 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5519496 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5424052 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL485756 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL300614 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3258790 0.88 BID (0.72) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3387025-B1 INVERSE EMULSION COMPOSITIONS KEMIRA OYJ (FI) 2023-04-26 EP claimed
EP-0797601-B1 STABLE WATER-IN-OIL EMULSIONS OF HYDROLYSED POLYMERS OF N-VINYL AMIDES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 1998-12-02 EP disclosed
EP-0797601-A1 PROCESS FOR PRODUCING STABLE WATER-IN-OIL EMULSIONS OF HYDROLYSED POLYMERS OF N-VINYL AMIDES AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-01 EP disclosed
EP-0623630-B1 Water-in-oil polymer emulsions, process for their preparation and their use BASF AG (DE) 1997-01-02 EP disclosed
WO-1995032227-A1 PROCESS FOR PRODUCING STABLE WATER-IN-OIL EMULSIONS OF HYDROLYSED POLYMERS OF N-VINYL AMIDES AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed
EP-0529360-B1 Water-in-oil polymer emulsions BASF AG (DE) 1995-10-18 EP disclosed
EP-0623630-A2 Water-in-oil polymer emulsions, process for their preparation and their use BASF Aktiengesellschaft (DE) 1994-11-09 EP disclosed
EP-0529360-A1 Water-in-oil polymer emulsions BASF Aktiengesellschaft (DE) 1993-03-03 EP disclosed