SCHEMBL6561777

SCHEMBL6561777

CCCc1c(OCCCOc2ccc(C(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.69
PPARG P37231 19/20 0.69
PPARD Q03181 19/20 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
SCHEMBL6561716 0.92 PPARG (0.59) PPARAPPARGPPARD
SCHEMBL6561556 0.88 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL6559376 0.87 PPARA (0.70) PPARAPPARGPPARD
SCHEMBL6560081 0.85 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL6559255 0.84 PPARG (0.71) PPARAPPARGPPARD
SCHEMBL7043976 0.84 PPARA (0.96) PPARAPPARGPPARD
SCHEMBL6560554 0.83 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6561721 0.82 PPARA (0.76) PPARAPPARGPPARD
SCHEMBL6559335 0.78 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL6560593 0.78 PPARA (0.60) 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