SCHEMBL2463785

SCHEMBL2463785

CCCC(C)(Oc1ccc(C(=O)CCc2nc(-c3ccccc3C(F)(F)F)sc2C(C)C)cc1C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.38
PPARA Q07869 8/20 0.38
CTSA P10619 2/20 0.34
PPARG P37231 5/20 0.34
WNT3A P56704 1/20 0.33
S1PR1 P21453 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ACHE P22303 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL2463771 0.91 PPARD (0.44) PPARDPPARACTSAPPARGWNT3A
SCHEMBL2463784 0.87 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL1765923 0.85 PPARD (0.44) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL4754236 0.85 CTSA (0.34) PPARDPPARACTSAWNT3AS1PR1
SCHEMBL2493984 0.82 CTSA (0.36) PPARDPPARACTSAWNT3AS1PR1
SCHEMBL2462553 0.81 PPARD (0.39) PPARDPPARACTSAPPARGWNT3A
SCHEMBL2463150 0.79 PPARD (0.45) PPARDPPARAPPARGWNT3A
SCHEMBL2464201 0.78 PPARD (0.49) PPARDPPARACTSAPPARGWNT3A
SCHEMBL2460829 0.77 PPARA (0.42) PPARDPPARAPPARGTHRATHRB
SCHEMBL2463769 0.77 PPARA (0.54) PPARDPPARAPPARG

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