SCHEMBL19781304

SCHEMBL19781304

CCCCCCCCOc1ccc(C(=O)NC(C)C(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.74
PPARA Q07869 1/20 0.74
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
ASAH2 Q9NR71 2/20 0.59
PLA2G4B P0C869 2/20 0.58
RARB P10826 3/20 0.56
SPHK1 Q9NYA1 1/20 0.54
PLK1 P53350 1/20 0.54

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
SCHEMBL13753454 0.99 PPARG (0.72) PPARGPPARATP53TSHRASAH2
SCHEMBL19781325 0.85 PPARG (1.00) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL19780924 0.85 PPARG (1.00) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL19780913 0.84 PPARG (0.80) PPARGPPARATP53TSHRASAH2
SCHEMBL19780916 0.84 PPARG (0.80) PPARGPPARATP53TSHRASAH2
SCHEMBL19781331 0.84 PPARG (0.80) PPARGPPARATP53TSHRASAH2
SCHEMBL19781332 0.84 PPARG (0.80) PPARGPPARATP53TSHRASAH2
SCHEMBL19781324 0.83 PPARG (1.00) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL19781328 0.83 PPARG (1.00) PPARGPPARATP53TSHRPLA2G4B
SCHEMBL12638345 0.83 PPARG (0.66) PPARGPPARATP53TSHRPLA2G4B

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