SCHEMBL9529061

SCHEMBL9529061

CCCCc1nc(C(Cl)c2ccccc2Cl)c(CC(Cc2ccccc2)C(=O)O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
PARP1 P09874 1/20 0.35
PPARG P37231 3/20 0.35
PTGES O14684 2/20 0.35
ALOX5 P09917 2/20 0.35
MME P08473 2/20 0.35
KMO O15229 1/20 0.34
CPA1 P15085 2/20 0.33
CPA3 P15088 2/20 0.33
FOLH1 Q04609 2/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL9530397 0.75 BRS3 (0.40) CYP1A2PPARGPTGESALOX5MME
SCHEMBL8741267 0.73 PARP1 (0.42) PARP1PPARGPTGESALOX5CPA1
SCHEMBL8954337 0.72 EPHX2 (0.38) CYP1A2PARP1PTGESALOX5
SCHEMBL7259475 0.71 BRS3 (0.44) CYP1A2PPARGPTGESALOX5MME
SCHEMBL28161278 0.66 PARP1 (0.41) PARP1
SCHEMBL9529092 0.65 PARP1 (0.35) PARP1
SCHEMBL9052148 0.64 PARP1 (0.40) PARP1PPARG
SCHEMBL8954238 0.64 MME (0.51) MME
SCHEMBL7300579 0.63 FOLH1 (0.70) CYP1A2PPARGPTGESALOX5CPA1
SCHEMBL7379087 0.63 BRS3 (0.41) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS 1993-11-10 EP claimed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 EP claimed