SCHEMBL6559347

SCHEMBL6559347

CCCc1c(OCCCSc2cccc(OCC(=O)O)c2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.64
PPARD Q03181 19/20 0.64
PPARA Q07869 19/20 0.64
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48

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
SCHEMBL6559335 0.91 PPARA (0.64) PPARGPPARDPPARA
SCHEMBL6559376 0.85 PPARA (0.70) PPARGPPARDPPARA
SCHEMBL7043287 0.85 PPARA (0.82) PPARGPPARDPPARA
SCHEMBL2066214 0.83 PPARG (0.77) PPARGPPARDPPARA
SCHEMBL6559379 0.82 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL6559284 0.81 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL6559945 0.81 PPARG (0.84) PPARGPPARDPPARA
SCHEMBL6560699 0.80 PPARA (0.52) PPARGPPARDPPARA
SCHEMBL6559938 0.80 PPARA (0.58) PPARGPPARDPPARA
SCHEMBL6561556 0.80 PPARA (0.61) PPARGPPARDPPARA

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