SCHEMBL19781396

SCHEMBL19781396

CCCCCCOc1ccc(C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.55
MMP2 P08253 1/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
PPARA Q07869 1/20 0.47
PIN1 Q13526 1/20 0.46
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
TAOK3 Q9H2K8 3/20 0.44
TAOK1 Q7L7X3 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PLK1 P53350 1/20 0.43
SMPD1 P17405 3/20 0.43

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
SCHEMBL19781294 0.83 PPARG (0.64) PPARGMMP2PPARAITGB1ITGA4
SCHEMBL19781423 0.79 PPARG (0.58) PPARGPPARA
SCHEMBL19780917 0.78 PPARG (0.71) PPARGPPARA
SCHEMBL19780890 0.76 PPARG (0.60) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL19781398 0.74 ITGB3 (0.72) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL19780919 0.73 PPARG (0.63) PPARGPPARATAOK3TAOK1
SCHEMBL19780914 0.73 PPARG (0.63) PPARGPPARATAOK3TAOK1
SCHEMBL19781324 0.72 PPARG (1.00) PPARGPPARATAOK3TAOK1
SCHEMBL19781328 0.72 PPARG (1.00) PPARGPPARATAOK3TAOK1
SCHEMBL19781298 0.71 PPARG (0.65) PPARGPPARATAOK3ITGB3ITGA2B

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