SCHEMBL6934158

SCHEMBL6934158

CCCc1cc(-c2ccccc2)ccc1OCCCSc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.66
PPARG P37231 13/20 0.66
PPARA Q07869 12/20 0.66
NR1H2 P55055 2/20 0.57
NR1H3 Q13133 2/20 0.57
PTPN11 Q06124 2/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
SLC6A9 P48067 1/20 0.41

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
SCHEMBL7074267 0.87 PPARA (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931450 0.87 PPARG (0.61) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6931405 0.85 PPARD (0.69) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6938537 0.85 PPARG (0.49) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6934429 0.85 PPARA (0.58) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6939543 0.83 PPARG (0.58) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936091 0.82 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8440534 0.82 PPARD (0.59) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936087 0.82 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6936596 0.82 PPARG (0.59) 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