SCHEMBL6560126

SCHEMBL6560126

CCCCc1cccc(-c2coc3c(CCCC)c(OCCCSCC(C(=O)O)c4ccccc4)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.50
PPARD Q03181 17/20 0.50
PPARA Q07869 17/20 0.50
PTGIR P43119 2/20 0.38
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
TBXA2R P21731 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
SCHEMBL6559385 0.93 PPARA (0.53) PPARGPPARDPPARAPTGIRTBXA2R
SCHEMBL7044719 0.86 PPARA (0.55) PPARGPPARDPPARA
SCHEMBL6559847 0.81 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL7046187 0.80 PPARA (0.57) PPARGPPARDPPARA
SCHEMBL6559379 0.78 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL6560063 0.76 PPARA (0.56) PPARGPPARDPPARA
SCHEMBL6560061 0.73 PPARG (0.63) PPARGPPARDPPARA
SCHEMBL7993954 0.71 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL6559869 0.70 PPARA (0.48) PPARGPPARDPPARAPTGESALOX5
SCHEMBL6559284 0.69 PPARG (0.72) PPARGPPARDPPARA

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