SCHEMBL19781332

SCHEMBL19781332

CCCCCCCCOc1ccc(C(=O)N[C@H](C(=O)OC)C(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.80
PPARA Q07869 1/20 0.80
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
NPSR1 Q6W5P4 1/20 0.57
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 2/20 0.53
ASAH2 Q9NR71 1/20 0.53
RARB P10826 3/20 0.51

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
SCHEMBL19780916 1.00 PPARG (0.80) PPARGPPARATAS1R3TAS1R1NPSR1
SCHEMBL19781331 1.00 PPARG (0.80) PPARGPPARATAS1R3TAS1R1NPSR1
SCHEMBL19780913 1.00 PPARG (0.80) PPARGPPARATAS1R3TAS1R1NPSR1
SCHEMBL19780924 0.89 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781325 0.89 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781328 0.86 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781324 0.86 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL9830234 0.84 PPARG (0.92) PPARGPPARATAS1R3TAS1R1NPSR1
SCHEMBL9830231 0.84 PPARG (0.92) PPARGPPARATAS1R3TAS1R1NPSR1
SCHEMBL19781304 0.84 PPARG (0.74) 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