SCHEMBL6533235

SCHEMBL6533235

COC(=O)C(Cc1ccc(OC(c2cn[nH]c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(C)=NOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.39
PPARA Q07869 8/20 0.39
YAP1 P46937 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PPARD Q03181 2/20 0.34
GPR34 Q9UPC5 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PTPN1 P18031 2/20 0.34
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 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
SCHEMBL6532684 0.87 PPARG (0.38) PPARGPPARAPPARDCTSLCTSK
SCHEMBL6532102 0.87 PPARG (0.39) PPARGPPARAPPARDROCK2ROCK1
SCHEMBL6532377 0.87 PPARG (0.39) PPARGPPARAPPARDROCK2ROCK1
SCHEMBL6533825 0.86 PPARG (0.37) PPARGPPARANOS2PPARDGPR34
SCHEMBL6533886 0.83 PPARG (0.36) PPARGPPARAPPARDROCK1LMNA
SCHEMBL6532383 0.81 PPARG (0.40) PPARGPPARAROCK2ROCK1
SCHEMBL6534035 0.81 ACACB (0.38) PPARGPPARAROCK2ROCK1ALDH1A1
SCHEMBL6532874 0.81 PPARG (0.40) PPARGPPARANOS2ROCK2ROCK1
SCHEMBL6532444 0.80 PPARG (0.52) PPARGPPARA
SCHEMBL6532718 0.80 PPARG (0.43) 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