SCHEMBL10141338

SCHEMBL10141338

COC(=O)Cc1ccc([S+]([O-])C2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MMP9 P14780 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
GFER P55789 1/20 0.37
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL185256 0.75 DDIT3 (0.49) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL6560775 0.74 CYP4F2 (0.56) MAPTALDH1A1CYP4F2CYP4A11GAA
SCHEMBL185497 0.73 LIPE (0.47) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL4113212 0.71 CYP4F2 (0.76) MAPTALDH1A1CYP4F2CYP4A11GAA
SCHEMBL23278546 0.70 MAPT (0.51) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL25379342 0.70 LIPE (0.50) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL1808783 0.69 LIPE (0.49) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL1808785 0.69 LIPE (0.49) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL10889223 0.69 CYP4F2 (0.41) LIPEMAPTALDH1A1CYP4F2CYP4A11
SCHEMBL2650247 0.69 MAPT (0.78) LIPEMAPTALDH1A1CYP4F2CYP4A11

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-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed