SCHEMBL6560008

SCHEMBL6560008

CCCc1c(OCCCCOc2ccccc2CC(=O)O)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.70
PPARD Q03181 15/20 0.70
PPARA Q07869 15/20 0.70
LTB4R Q15722 3/20 0.50
LTB4R2 Q9NPC1 3/20 0.50
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
SCHEMBL6560101 0.89 PPARD (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560081 0.84 PPARA (0.71) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559284 0.84 PPARG (0.72) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559896 0.82 PPARG (0.61) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6559376 0.82 PPARA (0.70) PPARGPPARDPPARA
SCHEMBL2066214 0.82 PPARG (0.77) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560654 0.81 PPARD (0.66) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6560646 0.81 PPARG (0.61) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6560593 0.81 PPARA (0.60) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6559945 0.80 PPARG (0.84) PPARGPPARDPPARANR1H2NR1H3

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