SCHEMBL19781325

SCHEMBL19781325

CCCCCCOc1ccc(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 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 1.00
▸ PPARA Q07869 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 0.74
▸ TP53 P04637 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PLA2G4B P0C869 5/20 0.58
▸ RARB P10826 3/20 0.56
▸ PLK1 P53350 1/20 0.54
▸ PLA2G4A P47712 1/20 0.53

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
SCHEMBL19780924 1.00 PPARG (1.00) PPARGPPARANPSR1TP53TSHR
SCHEMBL9830231 0.96 PPARG (0.92) PPARGPPARANPSR1TP53TSHR
SCHEMBL9830234 0.96 PPARG (0.92) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781327 0.91 PPARG (0.83) PPARGPPARANPSR1TSHRPLK1
SCHEMBL19781326 0.91 PPARG (0.83) PPARGPPARANPSR1TSHRPLK1
SCHEMBL19781331 0.89 PPARG (0.80) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781332 0.89 PPARG (0.80) PPARGPPARANPSR1TP53TSHR
SCHEMBL19780913 0.89 PPARG (0.80) PPARGPPARANPSR1TP53TSHR
SCHEMBL19780916 0.89 PPARG (0.80) PPARGPPARANPSR1TP53TSHR
SCHEMBL19781328 0.88 PPARG (1.00) PPARGPPARANPSR1TP53TSHR

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
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