SCHEMBL4754172

SCHEMBL4754172

CCc1nc(-c2ccccc2C(F)(F)F)sc1CCC(=O)c1ccc(OOC(C)=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.34
WNT3A P56704 7/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 3/20 0.34
CTSA P10619 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CTNNB1 P35222 6/20 0.33
ACHE P22303 1/20 0.32
CTSK P43235 1/20 0.32
S1PR1 P21453 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL6888377 0.91 THRA (0.38) CRHR1WNT3APPARDPPARAPPARG
SCHEMBL2466105 0.88 PPARD (0.37) CRHR1WNT3APPARDPPARAPPARG
SCHEMBL2465204 0.87 PPARD (0.46) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL2463150 0.86 PPARD (0.45) WNT3APPARDPPARAPPARG
SCHEMBL4754160 0.86 PPARD (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL2468100 0.85 PPARA (0.37) WNT3APPARDPPARAPPARGFFAR1
SCHEMBL2465182 0.85 PPARD (0.47) WNT3APPARDPPARAPPARGCTSA
SCHEMBL4754236 0.79 CTSA (0.34) WNT3APPARDPPARACTSAFFAR1
SCHEMBL2467448 0.79 PPARD (0.43) PPARDPPARAPPARGTHRATHRB
SCHEMBL2460829 0.78 PPARA (0.42) PPARDPPARAPPARGTHRATHRB

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