SCHEMBL6936719

SCHEMBL6936719

CCCc1c(OCCCSc2ccc(CC(=O)OC)cc2Cl)ccc(/C(CC)=N/O)c1O

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.85
PPARD Q03181 10/20 0.85
PPARA Q07869 10/20 0.85
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
BLM P54132 1/20 0.36
GRM2 Q14416 1/20 0.36
PDE5A O76074 2/20 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
SCHEMBL6935493 1.00 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936015 0.94 PPARG (0.76) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6935503 0.94 PPARG (0.75) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6939101 0.93 PPARG (0.73) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6862000 0.92 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6861995 0.92 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934092 0.91 PPARG (0.86) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7038014 0.91 PPARG (0.70) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL7038011 0.91 PPARG (0.70) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938600 0.91 PPARG (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
WO-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed