SCHEMBL2466352

SCHEMBL2466352

CCCc1cc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)ccc1OC(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.40
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.39
S1PR1 P21453 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
ACHE P22303 1/20 0.33
CTSA P10619 1/20 0.33
STING1 Q86WV6 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL2467686 0.90 PPARG (0.40) PPARDPPARGPPARAS1PR1PTGDR2
SCHEMBL2466103 0.90 PPARD (0.41) PPARDPPARGPPARAS1PR1PTGDR2
SCHEMBL1766000 0.88 PPARD (0.40) PPARDPPARGPPARAS1PR1PTGDR2
SCHEMBL2466344 0.86 PPARD (0.51) PPARDPPARGPPARA
SCHEMBL2463460 0.83 PPARD (0.53) PPARDPPARGPPARAPTGDR2
SCHEMBL2464421 0.83 PPARD (0.45) PPARDPPARGPPARAS1PR1PTGDR2
SCHEMBL2465182 0.82 PPARD (0.47) PPARDPPARGPPARAS1PR1PTGDR2
SCHEMBL2467481 0.80 PPARD (0.38) PPARDPPARGPPARAS1PR1CTSA
SCHEMBL2466122 0.80 PPARD (0.45) PPARDPPARGPPARA
SCHEMBL2464201 0.79 PPARD (0.49) PPARDPPARGPPARACTSA

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