SCHEMBL2492777

SCHEMBL2492777

CCCC(C)(Oc1ccc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)c(C)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.41
PPARD Q03181 9/20 0.41
PPARG P37231 7/20 0.41
HTT P42858 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
GCGR P47871 1/20 0.32
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
TP53 P04637 1/20 0.30
CTSA P10619 1/20 0.30

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
SCHEMBL2464909 0.91 PPARA (0.50) PPARAPPARDPPARGHTT
SCHEMBL2492775 0.87 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL2464883 0.85 PPARD (0.41) PPARAPPARDPPARGHTTNR1H4
SCHEMBL2462553 0.84 PPARD (0.39) PPARAPPARDPPARGNR1H4THRA
SCHEMBL2467702 0.83 ABCB1 (0.38) PPARAPPARDPPARGNR1H4
SCHEMBL376651 0.81 PPARA (0.55) PPARAPPARDPPARG
SCHEMBL2464201 0.78 PPARD (0.49) PPARAPPARDPPARGCTSA
SCHEMBL1765850 0.78 PPARD (0.49) PPARAPPARDPPARGCTSA
SCHEMBL2464908 0.77 PPARA (0.65) PPARAPPARDPPARG
SCHEMBL2466327 0.75 PPARA (0.45) PPARAPPARDPPARGCTSA

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