SCHEMBL6529515

SCHEMBL6529515

CCO/N=C(/CC)C(Cc1ccc(OC(c2cccc(C)c2)c2ncno2)cc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.41
PPARA Q07869 12/20 0.41
PPARD Q03181 4/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6529516 1.00 PPARG (0.41) PPARGPPARAPPARDALDH1A1TP53
SCHEMBL6530452 0.93 PPARG (0.47) PPARGPPARAPPARDALDH1A1TP53
SCHEMBL6527380 0.85 PPARG (0.49) PPARGPPARA
SCHEMBL6527748 0.82 PPARG (0.44) PPARGPPARA
SCHEMBL6527918 0.81 PPARG (0.30) PPARGPPARA
SCHEMBL6527921 0.81 PPARG (0.30) PPARGPPARA
SCHEMBL6528958 0.78 PPARG (0.32) PPARGPPARA
SCHEMBL6504733 0.76 PPARG (0.51) PPARGPPARA
SCHEMBL6530689 0.74 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL6505330 0.69 ESR1 (0.49) PPARGPPARAPPARD

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