SCHEMBL6560646

SCHEMBL6560646

CCCc1c(OCCCCOc2ccccc2CC(=O)O)ccc2c(-c3ccccc3)c[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.61
PPARD Q03181 12/20 0.61
PPARA Q07869 11/20 0.61
LTB4R Q15722 8/20 0.51
LTB4R2 Q9NPC1 8/20 0.51

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
SCHEMBL6559377 0.85 PPARG (0.65) PPARGPPARDPPARALTB4R
SCHEMBL6560008 0.81 PPARG (0.70) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL6560112 0.79 PPARD (0.71) PPARGPPARDPPARA
SCHEMBL6559339 0.78 PPARG (0.50) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL7046584 0.78 PPARG (0.62) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL2406964 0.73 PPARG (0.56) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL8081517 0.72 MEN1 (0.57) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL8080247 0.72 MEN1 (0.57) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL8072236 0.72 MEN1 (0.57) PPARGPPARDPPARALTB4RLTB4R2
SCHEMBL8081501 0.72 MEN1 (0.57) PPARGPPARDPPARALTB4RLTB4R2

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