SCHEMBL6934065

SCHEMBL6934065

CCCc1cc(C(=O)CC)ccc1OCCCSc1ccc(CC(=O)OC)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.58
PPARG P37231 11/20 0.58
PPARA Q07869 10/20 0.58
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6931405 0.91 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936744 0.90 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936742 0.90 PPARG (0.60) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL5203913 0.83 PPARG (0.52) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6937386 0.82 PPARG (0.84) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6933762 0.82 PPARG (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936087 0.81 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936091 0.81 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6939657 0.80 PPARG (0.49) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7074267 0.80 PPARA (0.61) 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 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