SCHEMBL2468030

SCHEMBL2468030

C=C(CCc1nc(-c2ccc(Cl)cc2Cl)oc1C(C)C)c1ccc(OOC(C)=O)c(C)c1CC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 3/20 0.46
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL2462569 0.88 PPARA (0.47) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL6885083 0.85 PPARA (0.52) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL2463840 0.81 PPARG (0.43) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL4755223 0.80 PPARA (0.53) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL4754216 0.79 PPARA (0.48) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL6885086 0.79 PPARA (0.53) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL4752401 0.78 PPARG (0.49) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL12732409 0.76 PPARG (0.58) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL12732408 0.74 PPARA (0.51) PPARGPPARAPPARDTSHRHSD17B10
SCHEMBL1765900 0.74 PPARD (0.66) PPARGPPARAPPARDTSHR

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