SCHEMBL19781298

SCHEMBL19781298

CCCCCCOc1ccc(C(=O)NC(C)Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.65
PPARA Q07869 1/20 0.65
ACACB O00763 2/20 0.61
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PLK1 P53350 1/20 0.57
TP53 P04637 2/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
PLA2G4B P0C869 1/20 0.54
TAOK3 Q9H2K8 1/20 0.53
RARB P10826 2/20 0.52

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
SCHEMBL19781398 0.87 ITGB3 (0.72) PPARGPPARARAB9ANPC1MEN1
SCHEMBL9716935 0.86 PPARG (0.60) PPARGPPARARAB9ANPC1MEN1
SCHEMBL19781294 0.84 PPARG (0.64) PPARGPPARARAB9ANPC1MEN1
SCHEMBL11043905 0.83 ITGB3 (0.69) PPARGPPARARAB9ANPC1MEN1
SCHEMBL11043906 0.83 ITGB3 (0.69) PPARGPPARARAB9ANPC1MEN1
SCHEMBL1123162 0.83 ACACB (0.67) ACACBRAB9ANPC1MEN1KMT2A
SCHEMBL19781304 0.80 PPARG (0.74) PPARGPPARAPLK1TP53TSHR
SCHEMBL19780924 0.79 PPARG (1.00) PPARGPPARAPLK1TP53TSHR
SCHEMBL19781325 0.79 PPARG (1.00) PPARGPPARAPLK1TP53TSHR
SCHEMBL22756205 0.79 PPARG (0.52) PPARGPPARAACACBRARB

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