SCHEMBL6560696

SCHEMBL6560696

CCCc1c(OCCCSc2cccc(O)c2CCc2nnn[nH]2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.54
PPARG P37231 18/20 0.54
PPARD Q03181 18/20 0.54
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL6559371 0.87 PPARG (0.54) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559269 0.81 PPARG (0.56) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560185 0.77 PPARA (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560699 0.76 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL6559374 0.76 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL6559945 0.72 PPARG (0.84) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560182 0.71 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL2066214 0.71 PPARG (0.77) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559347 0.71 PPARG (0.64) PPARAPPARGPPARD
SCHEMBL6559335 0.70 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