SCHEMBL4449182

SCHEMBL4449182

O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.53

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
▸ DHFR known ✓ P00374 1/20 0.38
▸ CA2 known ✓ P00918 2/20 0.37
▸ CA4 known ✓ P22748 1/20 0.37
▸ CA1 known ✓ P00915 1/20 0.36
▸ PPARG known ✓ P37231 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ACMSD Q8TDX5 3/20 0.38
▸ HNF4A P41235 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ PPARA Q07869 1/20 0.35
▸ CFD P00746 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ LCK P06239 1/20 0.35

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
Potassium Ion SCHEMBL9641315 0.95 KDM4E (0.42) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL6261783 0.78 CA2 (0.50) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL28480929 0.78 CA1 (0.50) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL38652123 0.78 CA2 (0.50) KDM4EPOLBTDP1ALDH1A1HPGD
Pyromellitic Acid SCHEMBL6263960 0.78 KDM4E (0.48) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL2809848 0.76 KDM4E (0.70) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL4446245 0.76 CA1 (0.52) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL22206255 0.76 KDM4E (0.39) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL6693861 0.76 TDP1 (0.47) KDM4EPOLBTDP1ALDH1A1HPGD
SCHEMBL8679191 0.76 CA1 (0.52) KDM4EPOLBTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1224330-A — — None — — JP disclosed
CN-114084994-B Treatment method of BPDA series acidified waste brine 河北海力香料股份有限公司 2022-05-03 — — CN disclosed
CN-114084994-A Treatment method of BPDA series acidified waste brine 河北海力香料股份有限公司 2022-02-25 — — CN disclosed
CN-113717136-A High-yield green safe synthesis method of 3,3',4,4' -biphenyl tetracarboxylic dianhydride 江西师范大学 2021-11-30 — — CN disclosed
US-20090048462-A1 Method for producing biphenyltetracarboxylic acid JFE CHEMICAL CORPORATION (JP) 2009-02-19 — — US disclosed
EP-1801092-A1 PROCESS FOR PRODUCING BIPHENYLTETRACARBOXYLIC ACID JFE Chemical Corporation (JP) 2007-06-27 — — EP disclosed
EP-0421046-B1 Process for producing highly pure 3,3',4,4' - biphenyltetra- carboxylic acid or dianhydride thereof HITACHI LTD (JP) 1995-06-14 — — EP disclosed
US-5047560-A Process for producing highly pure 3,3',4,4'-biphenyltetracarboxylic acid or dianhydride thereof HITACHI, LTD. (JP) 1991-09-10 — — US disclosed
EP-0421046-A1 Process for producing highly pure 3,3',4,4' - biphenyltetra- carboxylic acid or dianhydride thereof HITACHI, LTD. (JP) 1991-04-10 — — EP disclosed
JP-H01224330-A DIMERIZATION OF AROMATIC HALOGEN COMPOUND MITSUBISHI KASEI CORP 1989-09-07 — — JP disclosed
US-4727185-A Process for preparation of 3,3',4,4'-biphenyltetracarboxylic acid salts HITACHI, LTD. (JP) 1988-02-23 — — US disclosed
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