SCHEMBL6533886

SCHEMBL6533886

COC(=O)C(Cc1ccc(OC(c2ccc(C)cc2)c2cn[nH]c2)cc1)C(C)=NOCc1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.36
PPARA Q07869 14/20 0.36
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PPARD Q03181 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ROCK1 Q13464 1/20 0.32
MYLK4 Q86YV6 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL6532377 0.97 PPARG (0.39) PPARGPPARAPPARDATML3MBTL1
SCHEMBL6534151 0.92 PPARG (0.42) PPARGPPARA
SCHEMBL6532684 0.90 PPARG (0.38) PPARGPPARAPPARDROCK1ACACB
SCHEMBL6532102 0.90 PPARG (0.39) PPARGPPARAPPARDL3MBTL1ROCK1
SCHEMBL6533744 0.90 PPARG (0.44) PPARGPPARA
SCHEMBL6533825 0.89 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL6532383 0.89 PPARG (0.40) PPARGPPARAROCK1ACACB
SCHEMBL6533257 0.89 ROCK2 (0.34) PPARGPPARA
SCHEMBL6532874 0.88 PPARG (0.40) PPARGPPARAROCK1ACACB
SCHEMBL6532809 0.88 PPARG (0.49) 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 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