SCHEMBL6936742

SCHEMBL6936742

CCCc1cc(/C(CC)=N/O)ccc1OCCCSc1ccc(CC(=O)OC)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.60
PPARD Q03181 11/20 0.60
PPARA Q07869 10/20 0.60
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CNR2 P34972 1/20 0.37
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL6936744 1.00 PPARG (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936087 0.92 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936091 0.92 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934065 0.90 PPARD (0.58) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936719 0.84 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6935493 0.84 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936329 0.82 PPARG (0.53) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937010 0.81 PPARG (0.68) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6931405 0.81 PPARD (0.69) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL5203913 0.81 PPARG (0.52) PPARGPPARDPPARANR1H2NR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed