SCHEMBL4754462

SCHEMBL4754462

CCc1cc(OCC(=O)O)ccc1C(=O)CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.61
FFAR1 O14842 6/20 0.60
PPARA Q07869 12/20 0.60
PPARG P37231 10/20 0.60

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
SCHEMBL4754463 0.85 PPARD (0.44) PPARDFFAR1PPARAPPARG
SCHEMBL6885075 0.84 PPARD (0.63) PPARDFFAR1PPARAPPARG
SCHEMBL1765914 0.81 PPARD (0.57) PPARDFFAR1PPARAPPARG
SCHEMBL4754485 0.80 PPARD (0.47) PPARDFFAR1PPARAPPARG
SCHEMBL2468791 0.79 PPARD (0.77) PPARDFFAR1PPARAPPARG
SCHEMBL6494057 0.79 PPARD (0.60) PPARDFFAR1PPARAPPARG
SCHEMBL6491580 0.77 PPARD (0.60) PPARDFFAR1PPARAPPARG
SCHEMBL6487449 0.77 PPARD (0.62) PPARDFFAR1PPARAPPARG
SCHEMBL6614634 0.76 PPARD (0.85) PPARDFFAR1PPARAPPARG
SCHEMBL4894474 0.76 PPARD (0.85) PPARDFFAR1PPARAPPARG

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