SCHEMBL6933003

SCHEMBL6933003

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(/C(CC)=N/O)c1OC(C)=O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.80
PPARG P37231 9/20 0.80
PPARA Q07869 9/20 0.80
NR1H2 P55055 3/20 0.54
NR1H3 Q13133 3/20 0.54
CYSLTR2 Q9NS75 10/20 0.38
CYSLTR1 Q9Y271 10/20 0.38

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 1.00 PPARD (0.80) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937010 0.92 PPARG (0.68) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6932940 0.92 PPARD (0.82) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6933714 0.92 PPARD (0.82) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6939266 0.90 PPARD (0.79) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6861995 0.89 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6862000 0.89 PPARG (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937146 0.87 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937003 0.87 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6932943 0.84 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3

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