SCHEMBL4728588

SCHEMBL4728588

CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)O)c(C)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.73
PPARA Q07869 9/20 0.73
PPARG P37231 7/20 0.73
S1PR1 P21453 1/20 0.54

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
SCHEMBL4727946 1.00 PPARD (0.73) PPARDPPARAPPARGS1PR1
SCHEMBL4728565 0.86 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL4726549 0.85 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL4726545 0.85 PPARD (0.61) PPARDPPARAPPARG
SCHEMBL4728629 0.85 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL4728625 0.85 PPARD (1.00) PPARDPPARAPPARG
SCHEMBL4730648 0.84 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL16914904 0.84 S1PR1 (0.61) PPARDPPARAPPARGS1PR1
SCHEMBL17601795 0.84 S1PR1 (0.61) PPARDPPARAPPARGS1PR1
SCHEMBL4726569 0.83 PPARD (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed