SCHEMBL6559869

SCHEMBL6559869

CCCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2)ccc2c(-c3ccccc3C)coc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.48
PPARG P37231 13/20 0.48
PPARD Q03181 9/20 0.48
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PTGES O14684 4/20 0.36
ALOX5 P09917 4/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
LTB4R Q15722 1/20 0.33
MCL1 Q07820 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL6560063 0.93 PPARA (0.56) PPARAPPARGPPARDCYSLTR2CYSLTR1
SCHEMBL7044211 0.86 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL7042004 0.79 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6560061 0.78 PPARG (0.63) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL6559245 0.77 PPARA (0.75) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6560554 0.77 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6559385 0.75 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL2066214 0.74 PPARG (0.77) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6561582 0.74 PPARA (0.66) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559335 0.74 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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