SCHEMBL6532377

SCHEMBL6532377

COC(=O)C(Cc1ccc(OC(c2ccc(C)cc2)c2cn[nH]c2)cc1)C(C)=NOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.39
PPARA Q07869 15/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.35
PPARD Q03181 2/20 0.35
TSHR P16473 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL6533886 0.97 PPARG (0.36) PPARGPPARAATML3MBTL1PPARD
SCHEMBL6532684 0.93 PPARG (0.38) PPARGPPARALTA4HPPARDTSHR
SCHEMBL6532102 0.93 PPARG (0.39) PPARGPPARAL3MBTL1LTA4HPPARD
SCHEMBL6533744 0.93 PPARG (0.44) PPARGPPARA
SCHEMBL6533825 0.93 PPARG (0.37) PPARGPPARALTA4HPPARDROCK2
SCHEMBL6534151 0.91 PPARG (0.42) PPARGPPARA
SCHEMBL6533235 0.87 PPARG (0.39) PPARGPPARAPPARDROCK2ROCK1
SCHEMBL6532809 0.87 PPARG (0.49) PPARGPPARA
SCHEMBL6532718 0.86 PPARG (0.43) PPARGPPARA
SCHEMBL6533257 0.86 ROCK2 (0.34) PPARGPPARAROCK2

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