SCHEMBL28008704

SCHEMBL28008704

CCOC(CC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP9 P14780 1/20 0.47
SLC15A1 P46059 2/20 0.47
PPARG P37231 1/20 0.45

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
SCHEMBL4302186 0.93 FFAR1 (0.53) FFAR1ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL3821109 0.88 FFAR1 (0.51) FFAR1ALDH1A1
SCHEMBL1882562 0.83 ALDH1A1 (0.54) FFAR1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL28008254 0.81 FFAR1 (0.50) FFAR1ALDH1A1
SCHEMBL28008262 0.81 FFAR1 (0.46) FFAR1ALDH1A1MAPK1L3MBTL1
SCHEMBL16408022 0.81 ALDH1A1 (0.51) FFAR1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL16672475 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL1670315 0.79 FFAR1 (0.62) FFAR1
SCHEMBL9555209 0.79 SLC15A1 (0.50) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL28008258 0.79 FFAR1 (0.49) FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed