SCHEMBL2460952

SCHEMBL2460952

CCC(C)(Oc1ccc(C(=O)CCc2sc(-c3ccc(OC)cc3)nc2C(C)C)cc1C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.45
PPARA Q07869 7/20 0.45
PPARG P37231 5/20 0.45
PTGDR2 Q9Y5Y4 5/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL4754239 0.85 MAPT (0.41) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL1765883 0.85 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL1765935 0.85 PPARD (0.46) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL1765940 0.84 PTGDR2 (0.42) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL12732397 0.84 PPARD (0.45) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL4755237 0.83 MAPT (0.39) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL2460958 0.83 PTGDR2 (0.40) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL2460955 0.83 PPARD (0.38) PPARDPPARAPPARGPTGDR2MAPT
SCHEMBL2466205 0.83 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL1765907 0.83 PPARD (0.51) 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