SCHEMBL6560112

SCHEMBL6560112

CCCc1c(OCCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)c[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.71
PPARG P37231 17/20 0.71
PPARA Q07869 16/20 0.71
NR1H2 P55055 4/20 0.59
NR1H3 Q13133 4/20 0.59
PTPN11 Q06124 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
SCHEMBL7038849 0.87 PPARD (0.71) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559361 0.83 PPARG (0.51) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559359 0.83 PPARG (0.51) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559377 0.83 PPARG (0.65) PPARDPPARGPPARAPTPN11
SCHEMBL6560614 0.83 PPARD (0.75) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL29729365 0.83 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL4296303 0.83 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL29361589 0.83 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7038846 0.83 PPARD (0.65) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL8441098 0.82 PPARG (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP claimed
EP-0904079-A4 1999-05-06 EP claimed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP claimed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed