SCHEMBL6534035

SCHEMBL6534035

COC(=O)C(Cc1ccc(OC(c2ccc(CC(C)C)cc2)c2cn[nH]c2)cc1)C(C)=NOCc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
MAOB P27338 6/20 0.37
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
MAOA P21397 1/20 0.36
SCN9A Q15858 1/20 0.36
ROCK2 O75116 2/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ROCK1 Q13464 1/20 0.33
GRM5 P41594 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6532383 0.92 PPARG (0.40) ACACBPPARGPPARAROCK2ROCK1
SCHEMBL6532684 0.91 PPARG (0.38) ACACBPPARGPPARAROCK2ROCK1
SCHEMBL6532243 0.89 MME (0.36) MAOBPPARGPPARAROCK2ROCK1
SCHEMBL6533257 0.87 ROCK2 (0.34) MAOBPPARGPPARAROCK2
SCHEMBL6532334 0.85 PPARG (0.35) ACACBPPARGPPARA
SCHEMBL6532874 0.85 PPARG (0.40) ACACBPPARGPPARAROCK2ROCK1
SCHEMBL6532377 0.84 PPARG (0.39) PPARGPPARAROCK2ROCK1
SCHEMBL6532102 0.84 PPARG (0.39) PPARGPPARAROCK2ROCK1
SCHEMBL6532609 0.84 PPARG (0.47) PPARGPPARA
SCHEMBL6533886 0.84 PPARG (0.36) ACACBPPARGPPARAROCK1

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