SCHEMBL6935474

SCHEMBL6935474

CCC(=O)c1ccc(OCCCSc2ccc(CC(=O)OC)cc2Cl)c(CC2CC2)c1O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.66
PPARD Q03181 9/20 0.66
PPARA Q07869 9/20 0.66
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LDHA P00338 1/20 0.34
LTB4R Q15722 1/20 0.33
MAPT P10636 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
SCHEMBL6935957 0.92 PPARG (0.79) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937554 0.91 PPARG (0.68) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937558 0.91 PPARG (0.68) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937386 0.88 PPARG (0.84) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937851 0.87 PPARA (0.68) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934160 0.83 PPARG (0.74) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936607 0.83 PPARG (0.80) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936610 0.83 PPARG (0.80) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938923 0.82 PPARG (0.57) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8444282 0.82 PPARG (0.48) 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 8 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
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