SCHEMBL9530397

SCHEMBL9530397

CCCCc1nc(Cc2ccc(C(=O)O)c(Cl)c2)c(CC(Cc2ccccc2)C(=O)O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.40
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
MME P08473 2/20 0.36
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
PPARG P37231 2/20 0.36
DHODH Q02127 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL8954337 0.75 EPHX2 (0.38) CYP1A2PTGESALOX5
SCHEMBL9529061 0.75 CYP1A2 (0.39) MMECYP1A2PTGESALOX5PPARG
SCHEMBL9532826 0.73 AGTR1 (0.41) AGTR1
SCHEMBL8954220 0.72 AGTR1 (0.51) AGTR1
SCHEMBL9529092 0.67 PARP1 (0.35)
SCHEMBL9530398 0.67 BRS3 (0.42) BRS3PLA2G10PLA2G2ACYP1A2PPARG
SCHEMBL8741267 0.67 PARP1 (0.42) BRS3PTGESALOX5PPARG
SCHEMBL29151819 0.66 HNF4A (0.62) PLA2G10PLA2G2A
SCHEMBL28161278 0.66 PARP1 (0.41)
SCHEMBL9536151 0.66 MME (0.40) MMEAGTR1PPARG

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 disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 EP disclosed