SCHEMBL19781302

SCHEMBL19781302

CCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 1.00
PPARG P37231 3/20 0.74
PPARA Q07869 1/20 0.74
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
HPGD P15428 1/20 0.58
PLK1 P53350 1/20 0.58
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.54
ACACB O00763 1/20 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
SCHEMBL19781301 1.00 NPSR1 (1.00) NPSR1PPARGPPARAKMT2AMEN1
SCHEMBL9830234 0.89 PPARG (0.92) NPSR1PPARGPPARAKMT2AMEN1
SCHEMBL19781327 0.89 PPARG (0.83) NPSR1PPARGPPARAKMT2AMEN1
SCHEMBL19781326 0.89 PPARG (0.83) NPSR1PPARGPPARAKMT2AMEN1
SCHEMBL9830231 0.89 PPARG (0.92) NPSR1PPARGPPARAKMT2AMEN1
SCHEMBL3082191 0.88 NPSR1 (0.77) NPSR1PPARGPPARARAB9AGAA
SCHEMBL19781325 0.85 PPARG (1.00) NPSR1PPARGPPARAPLK1
SCHEMBL19780924 0.85 PPARG (1.00) NPSR1PPARGPPARAPLK1
SCHEMBL10294829 0.84 NPSR1 (0.72) NPSR1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL3096415 0.83 NPSR1 (0.69) NPSR1PPARGPPARAKMT2AHPGD

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