SCHEMBL6532486

SCHEMBL6532486

COC(=O)C(Cc1ccc(OC(c2ccccc2)c2cn[nH]c2C)cc1)C(C)=NOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.40
PPARA Q07869 15/20 0.40
LTA4H P09960 1/20 0.36
PPARD Q03181 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.33
RAB9A P51151 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
SCHEMBL6533957 0.93 PPARG (0.45) PPARGPPARA
SCHEMBL6532377 0.83 PPARG (0.39) PPARGPPARALTA4HPPARDTSHR
SCHEMBL6532684 0.81 PPARG (0.38) PPARGPPARALTA4HPPARDTSHR
SCHEMBL6532102 0.81 PPARG (0.39) PPARGPPARALTA4HPPARDTSHR
SCHEMBL6533825 0.80 PPARG (0.37) PPARGPPARALTA4HPPARD
SCHEMBL6531718 0.80 PPARG (0.39) PPARGPPARA
SCHEMBL6533886 0.79 PPARG (0.36) PPARGPPARAPPARD
SCHEMBL6533235 0.76 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL6504111 0.76 MIF (0.50) PPARGPPARALTA4HPPARDTSHR
SCHEMBL6504116 0.76 MIF (0.50) PPARGPPARALTA4HPPARDTSHR

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