SCHEMBL6502468

SCHEMBL6502468

CCCCO/N=C(/C)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.55
PPARA Q07869 17/20 0.55
ESR1 P03372 1/20 0.50
SLC7A5 Q01650 1/20 0.44
LDHA P00338 1/20 0.43

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
SCHEMBL6502470 1.00 PPARG (0.55) PPARGPPARAESR1SLC7A5LDHA
SCHEMBL6508246 0.92 PPARG (0.57) PPARGPPARASLC7A5LDHA
SCHEMBL6508244 0.92 PPARG (0.57) PPARGPPARASLC7A5LDHA
SCHEMBL6510243 0.89 ESR1 (0.47) PPARGPPARAESR1
SCHEMBL6510237 0.89 ESR1 (0.47) PPARGPPARAESR1
SCHEMBL6510322 0.86 PPARG (0.55) PPARGPPARAESR1SLC7A5LDHA
SCHEMBL6510325 0.86 PPARG (0.55) PPARGPPARAESR1SLC7A5LDHA
SCHEMBL6511070 0.81 ESR1 (0.48) PPARGPPARAESR1
SCHEMBL6511074 0.81 ESR1 (0.48) PPARGPPARAESR1
SCHEMBL1487541 0.79 ESR1 (0.54) PPARGPPARAESR1SLC7A5LDHA

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed