SCHEMBL4754486

SCHEMBL4754486

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
ALOX5 P09917 2/20 0.36
PPARD Q03181 4/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
TP53 P04637 4/20 0.34
LMNA P02545 2/20 0.34
FFAR1 O14842 1/20 0.34
TARBP2 Q15633 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4754485 0.86 PPARD (0.47) MAPTPPARDPPARGPPARAFFAR1
SCHEMBL3522998 0.76 PPARD (0.47) MAPTPPARDPPARGPPARAFFAR1
SCHEMBL2467699 0.76 PPARD (0.44) MAPTPPARDPPARGPPARAFFAR1
SCHEMBL4754541 0.75 PPARA (0.49) PPARDPPARGPPARA
SCHEMBL1765872 0.73 PPARD (0.41) MAPTALOX5PPARDPPARGPPARA
SCHEMBL4809536 0.71 PPARD (0.37) MAPTPPARDPPARGPPARATP53
SCHEMBL12732398 0.71 MAPT (0.44) MAPTPPARDPPARGPPARATRPM8
SCHEMBL12732549 0.71 PPARA (0.52) PPARDPPARGPPARA
SCHEMBL4754145 0.70 PPARD (0.37) MAPTPPARDPPARGPPARATRPM8
SCHEMBL12732403 0.70 PPARD (0.50) PPARDPPARGPPARAFFAR1

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