SCHEMBL5797452

SCHEMBL5797452

[CH]C(=O)OCCNC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 1/20 0.59
TGM2 P21980 1/20 0.55
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
SLC1A3 P43003 1/20 0.51
SLC1A1 P43005 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KAT2B Q92831 1/20 0.48
GAA P10253 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL7372302 0.85 SMN1; SMN2 (1.00) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13055383 0.85 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21987005 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL11085496 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL35211277 0.84 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL30823376 0.84 SMN1; SMN2 (0.97) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL25538805 0.84 LMNA (0.79) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL5019074 0.83 LMNA (0.73) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL23710739 0.83 LMNA (0.72) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21597890 0.83 LMNA (0.72) LMNASMN1; SMN2HTTL3MBTL1MAPT

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-2006055462-A1 2-AMINO-4-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed