SCHEMBL6936573

SCHEMBL6936573

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.52
FFAR1 O14842 1/20 0.52
PPARD Q03181 4/20 0.51
PPARA Q07869 11/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
MTNR1B P49286 2/20 0.46
MTNR1A P48039 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
SCHEMBL6934100 0.95 FFAR1 (0.51) PPARGFFAR1PPARDPPARANR1H2
SCHEMBL6935508 0.91 FFAR1 (0.55) PPARGFFAR1PPARDPPARAMTNR1B
SCHEMBL6935270 0.90 PPARD (0.51) PPARGPPARDPPARA
SCHEMBL6931620 0.90 PPARD (0.52) PPARGPPARDPPARAMTNR1BMTNR1A
SCHEMBL6936737 0.89 FFAR1 (0.54) PPARGFFAR1PPARDPPARA
SCHEMBL6936213 0.88 FFAR1 (0.54) PPARGFFAR1PPARDPPARANR1H2
SCHEMBL6936579 0.88 PPARG (0.63) PPARGPPARDPPARA
SCHEMBL5208194 0.87 PPARD (0.55) PPARGPPARDPPARA
SCHEMBL6932993 0.86 PPARG (0.49) PPARGPPARDPPARA
SCHEMBL6934012 0.85 FFAR1 (0.51) FFAR1PPARA

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