SCHEMBL9530398

SCHEMBL9530398

CCC(C)C(c1ccc(C(=O)O)c(Cl)c1)c1ncc(CC(Cc2ccccc2)C(=O)O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.42
CYP1A2 P05177 1/20 0.36
KMO O15229 1/20 0.34
KDM5B Q9UGL1 2/20 0.33
GCK P35557 1/20 0.33
PPARG P37231 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM3B Q7LBC6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
KDM5A P29375 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
SCHEMBL7259475 0.70 BRS3 (0.44) BRS3CYP1A2PPARG
SCHEMBL9530397 0.67 BRS3 (0.40) BRS3CYP1A2PPARGPLA2G10PLA2G2A
SCHEMBL9025505 0.65 BRS3 (0.37) BRS3KDM5BKDM6BKDM4AKDM4D
SCHEMBL8954220 0.64 AGTR1 (0.51)
SCHEMBL10174226 0.63 TSHR (0.50)
SCHEMBL9512932 0.63 F2RL1 (0.34) BRS3CYP1A2KDM5A
SCHEMBL265063 0.63 CYP1A2 (0.83) CYP1A2PPARG
SCHEMBL265514 0.63 CYP1A2 (0.83) CYP1A2PPARG
SCHEMBL491524 0.63 CYP1A2 (0.83) CYP1A2PPARG
SCHEMBL1596298 0.63 SMN1; SMN2 (0.61) CYP1A2

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