SCHEMBL2465182

SCHEMBL2465182

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.47
PPARG P37231 6/20 0.47
PPARA Q07869 10/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.37
S1PR1 P21453 2/20 0.35
CTSA P10619 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
WNT3A P56704 1/20 0.33

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
SCHEMBL2463460 0.92 PPARD (0.53) PPARDPPARGPPARAPTGDR2
SCHEMBL2465180 0.86 PPARD (0.61) PPARDPPARGPPARAPTGDR2
SCHEMBL2465204 0.86 PPARD (0.46) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL2463150 0.85 PPARD (0.45) PPARDPPARGPPARAPTGDR2WNT3A
SCHEMBL4754172 0.85 CRHR1 (0.34) PPARDPPARGPPARAS1PR1CTSA
SCHEMBL2466103 0.83 PPARD (0.41) PPARDPPARGPPARAPTGDR2S1PR1
SCHEMBL2468100 0.82 PPARA (0.37) PPARDPPARGPPARAFFAR1FFAR4
SCHEMBL2467686 0.82 PPARG (0.40) PPARDPPARGPPARAPTGDR2S1PR1
SCHEMBL2466352 0.82 PPARD (0.40) PPARDPPARGPPARAPTGDR2S1PR1
SCHEMBL2464421 0.81 PPARD (0.45) PPARDPPARGPPARAPTGDR2S1PR1

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
EP-1424330-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO (JP) 2011-09-28 EP disclosed