SCHEMBL6560063

SCHEMBL6560063

CCCCc1c(OCCCSc2ccc(C(C)C(=O)O)cc2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.56
PPARG P37231 15/20 0.56
PPARD Q03181 15/20 0.56
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL6559869 0.93 PPARA (0.48) PPARAPPARGPPARDCYSLTR2CYSLTR1
SCHEMBL6560061 0.85 PPARG (0.63) PPARAPPARGPPARD
SCHEMBL7042004 0.85 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6560554 0.84 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL6559245 0.84 PPARA (0.75) PPARAPPARGPPARD
SCHEMBL6559385 0.82 PPARA (0.53) PPARAPPARGPPARDPOLBCASP6
SCHEMBL7044211 0.82 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL2066214 0.81 PPARG (0.77) PPARAPPARGPPARD
SCHEMBL6559335 0.81 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL6561582 0.80 PPARA (0.66) 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