SCHEMBL6560699

SCHEMBL6560699

CCCc1c(OCCCSc2cccc(OC(C)c3nnn[nH]3)c2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.52
PPARG P37231 19/20 0.52
PPARD Q03181 19/20 0.52

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
SCHEMBL6559374 0.92 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL7042168 0.87 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6559347 0.80 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL7039531 0.80 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL6559371 0.78 PPARG (0.54) PPARAPPARGPPARD
SCHEMBL6560182 0.77 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6560694 0.77 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6560696 0.76 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL6559269 0.75 PPARG (0.56) PPARAPPARGPPARD
SCHEMBL6559335 0.73 PPARA (0.64) PPARAPPARGPPARD

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