SCHEMBL28008697

SCHEMBL28008697

CCCCc1ccccc1CCC(=O)OCC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.73
CYP4A11 Q02928 3/20 0.73
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.47
ALOX5 P09917 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
PTPN1 P18031 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CDYL Q9Y232 1/20 0.44

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
SCHEMBL69660 0.91 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL20730201 0.89 CYP4F2 (0.77) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL28008696 0.88 CYP4F2 (0.81) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL23440804 0.87 CYP4F2 (0.74) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL17722536 0.86 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL22070564 0.85 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL22098182 0.85 CYP4F2 (1.00) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL23440803 0.84 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL30409252 0.84 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL8852291 0.83 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA

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