SCHEMBL4754463

SCHEMBL4754463

CCc1cc(OCC(=O)O)ccc1C(=O)CCc1sc(-c2ccccc2C(F)(F)F)nc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.44
FFAR1 O14842 8/20 0.44
PPARA Q07869 8/20 0.43
PPARG P37231 6/20 0.43
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4754462 0.85 PPARD (0.61) PPARDFFAR1PPARAPPARG
SCHEMBL2464883 0.82 PPARD (0.41) PPARDFFAR1PPARAPPARG
SCHEMBL2468793 0.79 PPARD (0.56) PPARDFFAR1PPARAPPARGMEN1
SCHEMBL2467702 0.75 ABCB1 (0.38) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL377186 0.74 PPARA (0.63) PPARDPPARAPPARGTP53
SCHEMBL2465204 0.74 PPARD (0.46) PPARDFFAR1PPARAPPARGMEN1
SCHEMBL4754485 0.72 PPARD (0.47) PPARDFFAR1PPARAPPARGMAPT
SCHEMBL1766000 0.71 PPARD (0.40) PPARDFFAR1PPARAPPARGMEN1
SCHEMBL6302340 0.70 PPARD (0.74) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL2466122 0.70 PPARD (0.45) PPARDFFAR1PPARAPPARGMEN1

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