SCHEMBL2653259

SCHEMBL2653259

CCOC(=O)CCNC(=O)c1ccc(OCCCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)c(C)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.50
PPARA Q07869 6/20 0.46
PPARG P37231 2/20 0.46
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
RARB P10826 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
EPHX2 P34913 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL2651645 0.92 PPARD (0.48) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL2652659 0.91 PPARD (0.52) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL2652102 0.81 PPARD (0.49) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL2655916 0.80 PPARD (0.49) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL2270470 0.80 GCG (0.48) PPARDPPARAPPARG
SCHEMBL2652464 0.80 PPARD (0.44) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL2653422 0.77 PPARD (0.51) PPARDPPARAPPARGRARB
SCHEMBL2651863 0.76 MAPT (0.57) PPARGMAPTEPHX2
SCHEMBL2652487 0.76 PPARD (0.45) PPARDPPARAPPARGROCK2ROCK1
SCHEMBL2656350 0.76 PPARD (0.51) PPARDPPARAPPARG

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed