SCHEMBL2464409

SCHEMBL2464409

CCC(Oc1ccc(C=CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)cc1C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.47
PPARG P37231 8/20 0.47
PPARA Q07869 13/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.36
CTSA P10619 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 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
SCHEMBL2464407 0.87 PPARD (0.60) PPARDPPARGPPARA
SCHEMBL2467495 0.87 PPARD (0.45) PPARDPPARGPPARACTSAMEN1
SCHEMBL2464495 0.86 PPARA (0.46) PPARDPPARGPPARA
SCHEMBL2468608 0.84 FBP1 (0.45) PPARDPPARGPPARACTSA
SCHEMBL2466103 0.78 PPARD (0.41) PPARDPPARGPPARAPTGDR2CTSA
SCHEMBL2467686 0.76 PPARG (0.40) PPARDPPARGPPARAPTGDR2CTSA
SCHEMBL2466352 0.76 PPARD (0.40) PPARDPPARGPPARAPTGDR2CTSA
SCHEMBL2463460 0.75 PPARD (0.53) PPARDPPARGPPARAPTGDR2MEN1
SCHEMBL2465182 0.73 PPARD (0.47) PPARDPPARGPPARAPTGDR2CTSA
SCHEMBL2464421 0.73 PPARD (0.45) PPARDPPARGPPARAPTGDR2CTSA

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