SCHEMBL5188293

SCHEMBL5188293

CCOC(=O)C(C)(C)Oc1ccc(CCCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.47
PPARA Q07869 9/20 0.47
PPARG P37231 8/20 0.47
ESRRG P62508 1/20 0.43
MAPT P10636 2/20 0.42
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.41
FAAH O00519 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL5187722 0.94 PPARA (0.49) PPARDPPARAPPARGESRRGMAPT
SCHEMBL5188268 0.93 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL5188740 0.90 PPARA (0.58) PPARDPPARAPPARG
SCHEMBL5203845 0.84 PPARD (0.51) PPARDPPARAPPARGMAPT
SCHEMBL5187788 0.83 PPARA (0.56) PPARDPPARAPPARG
SCHEMBL5186692 0.83 PPARA (0.38) PPARDPPARAPPARGMAPTTP53
SCHEMBL5187757 0.82 PPARD (0.43) PPARDPPARAPPARGEPHX2FBP1
SCHEMBL5188802 0.81 MCHR1 (0.44) PPARDPPARAPPARGMAPTTP53
SCHEMBL5188255 0.79 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5648539 0.78 PPARA (0.48) PPARDPPARAPPARGEPHX2FBP1

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
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed