SCHEMBL6561716

SCHEMBL6561716

CCCc1c(OCCCOc2ccc(C(C)(C)C(=O)O)cc2)ccc2c(-c3ccc(F)cc3)coc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.59
PPARA Q07869 19/20 0.59
PPARD Q03181 18/20 0.59
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 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
SCHEMBL6561777 0.92 PPARA (0.69) PPARGPPARAPPARD
SCHEMBL7044374 0.84 PPARA (0.82) PPARGPPARAPPARD
SCHEMBL6561556 0.81 PPARA (0.61) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559376 0.79 PPARA (0.70) PPARGPPARAPPARD
SCHEMBL6560081 0.77 PPARA (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559255 0.76 PPARG (0.71) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL7043976 0.76 PPARA (0.96) PPARGPPARAPPARD
SCHEMBL6560554 0.76 PPARA (0.59) PPARGPPARAPPARD
SCHEMBL6561721 0.75 PPARA (0.76) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL6559938 0.72 PPARA (0.58) PPARGPPARAPPARDNR1H2NR1H3

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