SCHEMBL19781423

SCHEMBL19781423

CCCCCCOc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NO)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.58
HRH3 Q9Y5N1 2/20 0.50
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL19781406 0.90 CA1 (0.59) PPARGHRH3PPARAALDH1A1CYP1A2
SCHEMBL9830755 0.87 CA1 (0.62) HRH3ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL19780917 0.80 PPARG (0.71) PPARGPPARA
SCHEMBL19781294 0.80 PPARG (0.64) PPARGPPARA
SCHEMBL15036987 0.79 PPARG (0.45) PPARGPPARAALDH1A1CYP1A2CYP3A4
SCHEMBL22449154 0.79 PPARG (0.45) PPARGPPARAALDH1A1CYP1A2CYP3A4
SCHEMBL15037344 0.79 PPARG (0.45) PPARGPPARAALDH1A1CYP1A2CYP3A4
SCHEMBL404703 0.79 CA1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19CA1
SCHEMBL19781396 0.79 PPARG (0.55) PPARGPPARA
SCHEMBL19780919 0.77 PPARG (0.63) PPARGPPARA

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