SCHEMBL19781398

SCHEMBL19781398

CCCCCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.72
ITGA2B P08514 10/20 0.72
ITGB1 P05556 4/20 0.67
ITGA4 P13612 3/20 0.67
PPARG P37231 2/20 0.64
PPARA Q07869 1/20 0.64
RAB9A P51151 2/20 0.63
GAA P10253 1/20 0.63
GPR132 Q9UNW8 1/20 0.60
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 1/20 0.57
PTPN1 P18031 1/20 0.56
ITGAV P06756 1/20 0.56
ITGA5 P08648 1/20 0.56

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
SCHEMBL11043906 0.96 ITGB3 (0.69) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL11043905 0.96 ITGB3 (0.69) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL1123184 0.91 GPR132 (0.67) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL12029320 0.91 ITGB3 (0.69) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL19781294 0.90 PPARG (0.64) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15100180 0.88 ITGB3 (0.63) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL12029291 0.88 ITGB3 (0.63) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL4369225 0.88 ITGB3 (0.68) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL9716935 0.87 PPARG (0.60) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL19781298 0.87 PPARG (0.65) ITGB3ITGA2BPPARGPPARARAB9A

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
WO-2018011230-A1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AGONISTS, METHOD OF PREPARATION AND USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2018-01-18 WO disclosed