SCHEMBL6938575

SCHEMBL6938575

CCCc1cc(Oc2ccccc2)ccc1OCCCNc1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.55
PPARA Q07869 11/20 0.55
PPARD Q03181 4/20 0.55

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
SCHEMBL6940167 0.88 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL6931620 0.86 PPARD (0.52) PPARGPPARAPPARD
SCHEMBL6939104 0.86 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL6936737 0.85 FFAR1 (0.54) PPARGPPARAPPARD
SCHEMBL6936573 0.85 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL6935508 0.84 FFAR1 (0.55) PPARGPPARAPPARD
SCHEMBL6936563 0.83 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6936258 0.83 FFAR1 (0.54) PPARGPPARAPPARD
SCHEMBL6935270 0.83 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6934100 0.80 FFAR1 (0.51) PPARGPPARAPPARD

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-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed