SCHEMBL6560086

SCHEMBL6560086

CCCc1c(OCCCNc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)csc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.59
PPARA Q07869 17/20 0.59
PPARG P37231 16/20 0.59
NR1H3 Q13133 8/20 0.59
NR1H2 P55055 6/20 0.59

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
SCHEMBL6559159 0.87 PPARA (0.63) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL6559223 0.86 PPARA (0.50) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL6560654 0.84 PPARD (0.66) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL6560026 0.80 PPARG (0.50) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7038241 0.80 PPARD (0.61) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7041507 0.79 PPARG (0.78) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL7038239 0.79 PPARD (0.60) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL6560614 0.78 PPARD (0.75) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL6561689 0.78 PPARA (0.62) PPARDPPARAPPARG
SCHEMBL6559323 0.75 PPARG (0.59) PPARDPPARAPPARGNR1H3NR1H2

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