SCHEMBL2460955

SCHEMBL2460955

CCC(COc1ccc(C(=O)CCc2sc(-c3ccc(OC)cc3)nc2C(C)C)cc1C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
TARBP2 Q15633 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
SCHEMBL1765940 0.87 PTGDR2 (0.42) PPARDMAPTPTGDR2PPARGPPARA
SCHEMBL1765935 0.86 PPARD (0.46) PPARDMAPTTP53LMNATHRB
SCHEMBL12732419 0.85 MAPT (0.40) PPARDMAPTTP53LMNATHRB
SCHEMBL24658530 0.85 MAPT (0.41) PPARDMAPTTP53LMNATHRB
SCHEMBL30003978 0.85 MAPT (0.41) PPARDMAPTTP53LMNATHRB
SCHEMBL4754239 0.85 MAPT (0.41) PPARDMAPTTP53LMNATHRB
SCHEMBL2460958 0.84 PTGDR2 (0.40) PPARDMAPTTP53LMNATHRB
SCHEMBL2460952 0.83 PPARD (0.45) PPARDMAPTTP53LMNATHRB
SCHEMBL4755237 0.83 MAPT (0.39) PPARDMAPTTP53LMNATHRB
SCHEMBL12732398 0.82 MAPT (0.44) PPARDMAPTTP53LMNATHRB

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