SCHEMBL6936258

SCHEMBL6936258

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PPARG P37231 17/20 0.48
PPARA Q07869 10/20 0.48
PPARD Q03181 4/20 0.48
PTGS1 P23219 1/20 0.46

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
SCHEMBL6931620 0.86 PPARD (0.52) PPARGPPARAPPARD
SCHEMBL6936737 0.85 FFAR1 (0.54) FFAR1PPARGPPARAPPARD
SCHEMBL6936573 0.85 PPARG (0.52) FFAR1PPARGPPARAPPARD
SCHEMBL6936546 0.84 PPARG (0.49) PPARGPPARAPPARDPTGS1
SCHEMBL6935508 0.84 FFAR1 (0.55) FFAR1PPARGPPARAPPARD
SCHEMBL6938575 0.83 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL6935270 0.83 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6936563 0.81 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL6939104 0.80 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL6934100 0.80 FFAR1 (0.51) FFAR1PPARGPPARAPPARD

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