SCHEMBL6934100

SCHEMBL6934100

CCCCc1cc(Oc2ccccc2)ccc1OCCCNc1ccc(CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
PPARG P37231 10/20 0.47
PPARA Q07869 5/20 0.47
PPARD Q03181 4/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MTNR1A P48039 5/20 0.47
MTNR1B P49286 4/20 0.47

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
SCHEMBL6936573 0.95 PPARG (0.52) FFAR1PPARGPPARAPPARDNR1H2
SCHEMBL6936213 0.87 FFAR1 (0.54) FFAR1PPARGPPARAPPARDNR1H2
SCHEMBL6935508 0.86 FFAR1 (0.55) FFAR1PPARGPPARAPPARDMTNR1A
SCHEMBL6935270 0.85 PPARD (0.51) PPARGPPARAPPARD
SCHEMBL6931620 0.85 PPARD (0.52) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL6932822 0.85 PPARD (0.56) PPARGPPARAPPARD
SCHEMBL6934012 0.85 FFAR1 (0.51) FFAR1PPARA
SCHEMBL6936737 0.84 FFAR1 (0.54) FFAR1PPARGPPARAPPARD
SCHEMBL6935592 0.84 FFAR1 (0.50) FFAR1PPARGPPARAPPARDNR1H2
SCHEMBL6936579 0.83 PPARG (0.63) 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