SCHEMBL6561585

SCHEMBL6561585

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)coc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 1.00
PPARG P37231 16/20 1.00
PPARA Q07869 16/20 1.00
NR1H2 P55055 9/20 0.69
NR1H3 Q13133 9/20 0.69

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
SCHEMBL6560656 0.92 PPARD (0.85) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6561590 0.90 PPARD (0.82) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL29361589 0.89 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL29729365 0.89 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
L-796449 SCHEMBL4296303 0.89 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6558756 0.88 PPARD (0.79) PPARDPPARGPPARANR1H2NR1H3
L-165461 SCHEMBL6753428 0.85 PPARD (1.00) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL7038966 0.84 PPARD (0.92) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL5535084 0.84 PPARD (0.83) PPARDPPARGPPARANR1H2NR1H3
SCHEMBL6559789 0.83 PPARD (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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