SCHEMBL4754485

SCHEMBL4754485

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.47
FFAR1 O14842 7/20 0.47
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
DPP4 P27487 2/20 0.39
MAPT P10636 1/20 0.38
TARBP2 Q15633 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4754486 0.86 MAPT (0.36) PPARDFFAR1PPARGPPARAMAPT
SCHEMBL1765914 0.82 PPARD (0.57) PPARDFFAR1PPARGPPARA
SCHEMBL4754462 0.80 PPARD (0.61) PPARDFFAR1PPARGPPARA
SCHEMBL1765870 0.79 PPARD (0.49) PPARDFFAR1PPARGPPARAMAPT
SCHEMBL4754541 0.77 PPARA (0.49) PPARDPPARGPPARA
SCHEMBL12732403 0.75 PPARD (0.50) PPARDFFAR1PPARGPPARA
SCHEMBL2464883 0.75 PPARD (0.41) PPARDFFAR1PPARGPPARA
SCHEMBL12732568 0.73 PPARD (0.45) PPARDFFAR1PPARGPPARAMAPT
SCHEMBL12732549 0.73 PPARA (0.52) PPARDPPARGPPARA
SCHEMBL12732398 0.73 MAPT (0.44) PPARDFFAR1PPARGPPARAMAPT

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