SCHEMBL6559385

SCHEMBL6559385

CCCCc1c(OCCCSCC(C(=O)O)c2ccccc2)ccc2c(-c3ccccc3)coc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.53
PPARG P37231 15/20 0.53
PPARD Q03181 15/20 0.53
PTGIR P43119 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TBXA2R P21731 1/20 0.37
POLB P06746 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL6560126 0.93 PPARG (0.50) PPARAPPARGPPARDPTGIRTBXA2R
SCHEMBL7046187 0.84 PPARA (0.57) PPARAPPARGPPARD
SCHEMBL6560063 0.82 PPARA (0.56) PPARAPPARGPPARDPOLBCASP6
SCHEMBL7044719 0.80 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL6560061 0.77 PPARG (0.63) PPARAPPARGPPARD
SCHEMBL6559379 0.76 PPARG (0.61) PPARAPPARGPPARD
SCHEMBL6559869 0.75 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6560554 0.74 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL2066214 0.73 PPARG (0.77) PPARAPPARGPPARD
SCHEMBL6559245 0.73 PPARA (0.75) 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