SCHEMBL6508939

SCHEMBL6508939

CCO/N=C(/C)C(Cc1ccc(OCCSc2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.59
PPARA Q07869 20/20 0.59
PPARD Q03181 1/20 0.44

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
SCHEMBL6508944 1.00 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL6503040 0.92 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6503037 0.92 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6505006 0.81 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6505003 0.81 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6503507 0.77 PPARG (0.60) PPARGPPARA
SCHEMBL6503508 0.77 PPARG (0.66) PPARGPPARA
SCHEMBL6510325 0.76 PPARG (0.55) PPARGPPARA
SCHEMBL6510322 0.76 PPARG (0.55) PPARGPPARA
SCHEMBL6533588 0.75 PPARG (0.60) 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 2 patents. 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 claimed
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