SCHEMBL6561529

SCHEMBL6561529

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c1ccn2-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 19/20 0.62
PPARA Q07869 16/20 0.62
PPARG P37231 14/20 0.62
NR1H2 P55055 10/20 0.57
NR1H3 Q13133 10/20 0.57

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
SCHEMBL6559190 0.92 PPARD (0.52) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6559843 0.92 PPARD (0.60) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6560732 0.84 PPARD (0.53) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6561541 0.83 PPARD (0.57) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL7044750 0.78 PPARD (0.59) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6936760 0.77 PPARG (0.88) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL10892351 0.76 PPARG (1.00) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6559278 0.76 PPARG (0.43) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6938540 0.76 PPARG (0.89) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL6938524 0.76 PPARG (0.89) PPARDPPARAPPARGNR1H2NR1H3

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