SCHEMBL6638435

SCHEMBL6638435

CC(C)(Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cn2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.49
PPARA Q07869 13/20 0.48
PPARG P37231 3/20 0.45
PKM P14618 1/20 0.44
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 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
SCHEMBL4575449 1.00 PPARD (0.49) PPARDPPARAPPARGPKMKCNH2
SCHEMBL4574832 0.90 FBP1 (0.40) PPARDPPARAPPARGPKMKCNH2
SCHEMBL4575464 0.89 PPARA (0.54) PPARDPPARAPPARG
SCHEMBL4576279 0.87 PPARA (0.56) PPARDPPARAPPARG
SCHEMBL4575335 0.87 PPARA (0.52) PPARDPPARAPPARG
SCHEMBL4575713 0.87 PPARA (0.52) PPARDPPARAPPARG
SCHEMBL4575442 0.86 PPARA (0.51) PPARDPPARAPPARG
SCHEMBL4575296 0.86 PPARA (0.51) PPARDPPARAPPARG
SCHEMBL4575814 0.84 PPARA (0.49) PPARDPPARAPPARG
SCHEMBL4575699 0.84 PPARA (0.53) 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-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed