SCHEMBL4624092

SCHEMBL4624092

O=C(O)CCCCCNC(=O)c1ccc(Cl)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
CDK1 P06493 1/20 0.55
FABP4 P15090 1/20 0.51
ALOX5 P09917 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48

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
SCHEMBL13593295 1.00 MAPK1 (0.55) MAPK1CDK1FABP4ALOX5HDAC3
SCHEMBL5654581 1.00 MAPK1 (0.55) MAPK1CDK1FABP4ALOX5HDAC3
SCHEMBL4390458 0.99 CDK1 (0.56) MAPK1CDK1FABP4ALOX5HDAC3
Salclobuzic Acid SCHEMBL543359 0.94 FABP4 (0.57) MAPK1CDK1FABP4ALOX5TDP1
Salclobuzic Acid SCHEMBL28863372 0.93 FABP4 (0.56) MAPK1CDK1FABP4ALOX5TDP1
Salclobuzic Acid SCHEMBL15484586 0.93 FABP4 (0.56) MAPK1CDK1FABP4ALOX5TDP1
Salclobuzic Acid SCHEMBL30966700 0.93 FABP4 (0.56) MAPK1CDK1FABP4ALOX5TDP1
Salclobuzic Acid SCHEMBL1070672 0.92 FABP4 (0.55) MAPK1CDK1FABP4TDP1CA12
SCHEMBL29383677 0.89 CDK1 (0.70) MAPK1CDK1FABP4TDP1CYP1A2
SCHEMBL446310 0.89 CDK1 (0.70) MAPK1CDK1FABP4TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322595-B1 (5-(2-HYDROXY-4-CHLOROBENZOYL) AMINOVALERIC ACID AND SALTS THEREOF AND COMPOSITIONS CONTAINING THE SAME FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2008-05-28 EP disclosed