SCHEMBL28008267

SCHEMBL28008267

CCOC(=O)CCc1ccccc1C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.65
CYP4A11 Q02928 3/20 0.65
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NLRP3 Q96P20 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDYL Q9Y232 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL20080059 0.88 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL4081569 0.86 EPHX2 (0.65) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL69660 0.85 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL14874376 0.84 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL27872791 0.83 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL28008696 0.82 CYP4F2 (0.81) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL13948404 0.80 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1EPHX2GAA
SCHEMBL28818299 0.80 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22070564 0.79 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL22098182 0.79 CYP4F2 (1.00) CYP4F2CYP4A11ALDH1A1EPHX2GAA

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