SCHEMBL2467686

SCHEMBL2467686

CCC(Oc1ccc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)cc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.40
PPARD Q03181 5/20 0.40
PPARA Q07869 7/20 0.39
S1PR1 P21453 4/20 0.35
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
DHODH Q02127 1/20 0.33
CTSA P10619 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL2466103 0.91 PPARD (0.41) PPARGPPARDPPARAS1PR1PTGDR2
SCHEMBL2466352 0.90 PPARD (0.40) PPARGPPARDPPARAS1PR1PTGDR2
SCHEMBL1765892 0.87 PTGDR2 (0.40) PPARGPPARDPPARAS1PR1PTGDR2
SCHEMBL2466327 0.86 PPARA (0.45) PPARGPPARDPPARAS1PR1CTSA
SCHEMBL2467681 0.86 PPARD (0.52) PPARGPPARDPPARA
SCHEMBL2462553 0.85 PPARD (0.39) PPARGPPARDPPARAS1PR1PRSS1
SCHEMBL2464421 0.83 PPARD (0.45) PPARGPPARDPPARAS1PR1PTGDR2
SCHEMBL2463460 0.83 PPARD (0.53) PPARGPPARDPPARAPTGDR2
SCHEMBL2465182 0.82 PPARD (0.47) PPARGPPARDPPARAS1PR1PTGDR2
SCHEMBL2467481 0.81 PPARD (0.38) PPARGPPARDPPARAS1PR1DHODH

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