SCHEMBL472705

SCHEMBL472705

COC(=O)c1ccc(C(=O)OC)c(Oc2ccc(S(=O)(=O)[O-])cc2)c1.[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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.41
CA2 known ✓ P00918 2/20 0.41
CA12 known ✓ O43570 1/20 0.40
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 3/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
TCF4 P15884 1/20 0.41

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
SCHEMBL472707 0.88 KMT2A (0.48) KMT2AKDM4EHSD17B10SMN1; SMN2CYP2C9
SCHEMBL5193324 0.82 TDP1 (0.56) KMT2AKDM4EHSD17B10SMN1; SMN2CYP2C9
SCHEMBL29826422 0.82 TDP1 (0.56) KMT2AKDM4EHSD17B10SMN1; SMN2CYP2C9
SCHEMBL4521411 0.81 KDM4E (0.50) KMT2AKDM4EHSD17B10SMN1; SMN2CYP2C9
SCHEMBL4506549 0.81 KDM4E (0.50) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL490297 0.80 KDM4E (0.58) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6254421 0.80 POLB (0.55) KDM4ECYP2C9CA1CA2CA12
SCHEMBL472699 0.79 USP2 (0.48) KMT2AKDM4ESMN1; SMN2CYP2C9ALDH1A1
SCHEMBL1940362 0.78 CA1 (0.61) SMN1; SMN2ALDH1A1HPGDMAPTGLA
SCHEMBL3687720 0.77 ALDH1A1 (0.46) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364331-B1 Water-dissipatable polyester resins and coatings prepared therefrom EASTMAN KODAK CO (US) 1994-06-08 EP claimed
US-4990593-A Curable with amino resin; waterproof enamel; polyesteramides from aminocarboxylic acids, amino alcohols, sulfonated acids, glycols, diamines EASTMAN KODAK COMPANY (US) 1991-02-05 US claimed
EP-0409916-A1 WATER-DISSIPATABLE POLYESTER RESINS AND COATINGS PREPARED THEREFROM EASTMAN KODAK COMPANY (US) 1991-01-30 EP claimed
WO-1990003994-A2 WATER-DISSIPATABLE POLYESTER RESINS AND COATINGS PREPARED THEREFROM EASTMAN KODAK COMPANY (US) 1990-04-19 WO claimed
EP-0364331-A2 Water-dissipatable polyester resins and coatings prepared therefrom EASTMAN CHEMICAL COMPANY (US) 1990-04-18 EP claimed
US-4910292-A Having carbonyloxy linking groups EASTMAN KODAK COMPANY (US) 1990-03-20 US claimed
EP-2412423-B1 Acetoacetate polymer coated aldehyde removal filter EASTMAN CHEM CO (US) 2016-12-14 EP disclosed
EP-2099323-B1 ACETOACETATE POLYMER COATED ALDEHYDE REMOVAL FILTER EASTMAN CHEM CO (US) 2015-05-27 EP disclosed
EP-2412422-A1 Acetoacetate polymer coated aldehyde renoval filter Eastman Chemical Company (US) 2012-02-01 EP disclosed
EP-2412423-A1 Acetoacatate polymer coated aldehyde removal filter Eastman Chemical Company (US) 2012-02-01 EP disclosed
US-7855261-B2 Aldehyde removal EASTMAN CHEMICAL COMPANY (US) 2010-12-21 US disclosed
EP-2099323-A2 ACETOACETATE POLYMER COATED ALDEHYDE REMOVAL FILTER Eastman Chemical Company (US) 2009-09-16 EP disclosed
WO-2008073212-A2 ACETOACETATE POLYMER COATED ALDEHYDE REMOVAL FILTER EASTMAN CHEMICAL COMPANY (US) 2008-06-19 WO disclosed
EP-0364331-A2 Water-dissipatable polyester resins and coatings prepared therefrom EASTMAN CHEMICAL COMPANY (US) 1990-04-18 EP disclosed
US-4910292-A Having carbonyloxy linking groups EASTMAN KODAK COMPANY (US) 1990-03-20 US disclosed
EP-0033783-B1 POLYESTER ADHESIVES National Starch and Chemical Corporation (US) 1982-12-22 EP disclosed
US-4300580-A Hair grooming method using linear polyesters EASTMAN KODAK COMPANY (US) 1981-11-17 US disclosed
EP-0033783-A2 Polyester adhesives National Starch and Chemical Corporation (US) 1981-08-19 EP disclosed
US-4257928-A COMPRISING DIBENZALSORBITOL AND A POLYESTER CONTAINING SULFONATE GROUPS PERMABOND INTERNATIONAL CORPORATION (US) 1981-03-24 US disclosed
US-4119680-A SULFONATE MONOMER, UNSATURATED DICARBOXYLIC ACIDS EASTMAN KODAK COMPANY (US) 1978-10-10 US disclosed