SCHEMBL6508246

SCHEMBL6508246

CCCON=C(C)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.57
PPARA Q07869 18/20 0.57
SLC7A5 Q01650 1/20 0.46
LDHA P00338 1/20 0.42

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
SCHEMBL6508244 1.00 PPARG (0.57) PPARGPPARASLC7A5LDHA
SCHEMBL6502470 0.92 PPARG (0.55) PPARGPPARASLC7A5LDHA
SCHEMBL6502468 0.92 PPARG (0.55) PPARGPPARASLC7A5LDHA
SCHEMBL6510322 0.89 PPARG (0.55) PPARGPPARASLC7A5LDHA
SCHEMBL6510325 0.89 PPARG (0.55) PPARGPPARASLC7A5LDHA
SCHEMBL6511070 0.88 ESR1 (0.48) PPARGPPARA
SCHEMBL6511074 0.88 ESR1 (0.48) PPARGPPARA
SCHEMBL6510243 0.81 ESR1 (0.47) PPARGPPARA
SCHEMBL6510237 0.81 ESR1 (0.47) PPARGPPARA
SCHEMBL6507933 0.77 ESR1 (0.50) PPARGPPARA

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