SCHEMBL6936053

SCHEMBL6936053

CCCc1c(OCCCCSc2ccc(CC#N)cc2Cl)ccc(C(=O)CC)c1O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.74
PPARD Q03181 8/20 0.74
PPARA Q07869 8/20 0.74
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CYSLTR2 Q9NS75 4/20 0.40
CYSLTR1 Q9Y271 4/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL6935904 0.97 PPARG (0.78) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934143 0.92 PPARG (0.74) PPARGPPARDPPARACYSLTR2CYSLTR1
SCHEMBL6939625 0.90 PPARG (0.78) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933330 0.85 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933299 0.84 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937386 0.84 PPARG (0.84) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934196 0.80 PPARG (0.95) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936760 0.79 PPARG (0.88) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933382 0.79 PPARG (0.79) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937493 0.79 PPARG (0.87) 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-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed