SCHEMBL28008696

SCHEMBL28008696

CCOC(=O)CCc1ccccc1CC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.81
CYP4A11 Q02928 3/20 0.81
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
PTPN1 P18031 1/20 0.48
NLRP3 Q96P20 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CDYL Q9Y232 1/20 0.47
EPHX2 P34913 1/20 0.46
ALOX5 P09917 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
SCHEMBL69660 0.96 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22098182 0.89 CYP4F2 (1.00) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22070564 0.89 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL28008697 0.88 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8852291 0.88 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL11587953 0.88 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL4842643 0.88 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL13948404 0.87 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL20730201 0.86 CYP4F2 (0.77) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4842634 0.86 CYP4F2 (0.71) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110720030-A Temperature evaluation system and article management system using the same 株式会社日立制作所 2020-01-21 CN disclosed
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed