SCHEMBL2465769

SCHEMBL2465769

CCCCc1ccc(-c2nc(C(C)C)c(CCC(=O)c3ccc(OC(CC)C(=O)O)c(C)c3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.46
PPARA Q07869 10/20 0.46
PPARG P37231 6/20 0.42
RARB P10826 2/20 0.36
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CTRC Q99895 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
SCHEMBL2467674 0.92 PPARD (0.48) PPARDPPARAPPARGS1PR1S1PR3
SCHEMBL2469813 0.88 PPARA (0.45) PPARDPPARAPPARGTHRBTP53
SCHEMBL2463889 0.87 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL2466281 0.87 PPARA (0.45) PPARDPPARAPPARGTP53MAPT
SCHEMBL4788833 0.87 PPARD (0.38) PPARDPPARAPPARGRARBTHRA
SCHEMBL24656238 0.86 THRA (0.43) PPARDPPARAPPARGRARBTHRA
SCHEMBL30003764 0.86 THRA (0.43) PPARDPPARAPPARGRARBTHRA
SCHEMBL2466205 0.85 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL12732428 0.85 PPARD (0.40) PPARDPPARAPPARGTHRATHRB
SCHEMBL30003422 0.84 PPARD (0.41) PPARDPPARAPPARGRARBTHRA

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