SCHEMBL6937010

SCHEMBL6937010

CCCc1c(OCCCSc2ccc(CC(=O)OC)cc2Cl)ccc(C(CC)=NO)c1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.68
PPARD Q03181 10/20 0.68
PPARA Q07869 10/20 0.68
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
CYSLTR2 Q9NS75 6/20 0.34
CYSLTR1 Q9Y271 6/20 0.34
CTSD P07339 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6933007 0.92 PPARD (0.80) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933003 0.92 PPARD (0.80) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933139 0.91 PPARG (0.66) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6935493 0.89 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936719 0.89 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937003 0.87 PPARG (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933714 0.86 PPARD (0.82) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6932940 0.86 PPARD (0.82) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6932943 0.84 PPARG (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937146 0.84 PPARG (0.60) 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 5 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-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed