SCHEMBL21647722

SCHEMBL21647722

CCOC(=O)CCc1ccccc1CCCC=O.CCOC(=O)CCc1ccccc1CCCCO

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.62
CYP4A11 Q02928 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.38
PTPN1 P18031 1/20 0.38
TBXAS1 P24557 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDYL Q9Y232 1/20 0.37

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
SCHEMBL23440803 0.93 CYP4F2 (0.66) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL30409252 0.93 CYP4F2 (0.66) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL23440804 0.91 CYP4F2 (0.74) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL20730201 0.86 CYP4F2 (0.77) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL69660 0.80 CYP4F2 (0.86) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL28008697 0.79 CYP4F2 (0.73) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL22098182 0.77 CYP4F2 (1.00) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL28008696 0.77 CYP4F2 (0.81) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL22098221 0.76 CYP4F2 (1.00) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL9118767 0.75 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2ALDH1A1LMNA

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
WO-2020027150-A1 BENZENE DERIVATIVE 小野薬品工業株式会社 2020-02-06 WO disclosed