SCHEMBL4752363

SCHEMBL4752363

[CH2]COc1ccc(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.52
PPARA Q07869 16/20 0.52
PPARG P37231 10/20 0.52
MAPT P10636 1/20 0.44

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
SCHEMBL23870829 0.92 PPARD (0.51) PPARDPPARAPPARGMAPT
SCHEMBL30003494 0.92 PPARD (0.51) PPARDPPARAPPARGMAPT
SCHEMBL1673096 0.92 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL26197140 0.92 PPARD (0.51) PPARDPPARAPPARGMAPT
SCHEMBL4752343 0.90 PPARD (0.52) PPARDPPARAPPARGMAPT
SCHEMBL1672782 0.89 PPARD (0.51) PPARDPPARAPPARGMAPT
SCHEMBL4752362 0.89 PPARD (0.53) PPARDPPARAPPARGMAPT
SCHEMBL2464420 0.88 PPARD (0.60) PPARDPPARAPPARGMAPT
SCHEMBL30003827 0.88 PPARD (0.52) PPARDPPARAPPARGMAPT
SCHEMBL12732451 0.88 PPARD (0.52) PPARDPPARAPPARGMAPT

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-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed