SCHEMBL4575460

SCHEMBL4575460

CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2)c2noc(-c3ccc(C#N)cc3)n2)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.52
PPARG P37231 16/20 0.52
PPARD Q03181 11/20 0.52
SLC22A12 Q96S37 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4575440 0.94 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL4575330 0.91 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL14307863 0.91 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL4575754 0.88 PPARA (0.47) PPARAPPARGPPARDSLC22A12
SCHEMBL4574853 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL4575426 0.85 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL4574820 0.85 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL4575427 0.85 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL4575211 0.84 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL4575961 0.83 PPARA (0.57) PPARAPPARGPPARD

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
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed