SCHEMBL5155595

SCHEMBL5155595

CC(C)(C)OC(=O)CNC(CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP26A1 O43174 1/20 0.43
PTPRC P08575 2/20 0.42
ATM Q13315 2/20 0.42
EEF2K O00418 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL4167953 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP26A1
SCHEMBL16680856 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1CYP26A1
SCHEMBL6359617 0.87 RIPK1 (0.50) L3MBTL1PTPRCCTSSCTSKRIPK1
SCHEMBL6359621 0.87 RIPK1 (0.50) L3MBTL1PTPRCCTSSCTSKRIPK1
SCHEMBL6936747 0.86 MEN1 (0.41) ALDH1A1SMN1; SMN2PTPRCCTSSCTSK
SCHEMBL24326335 0.84 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1PTPRCCTSS
SCHEMBL17697851 0.84 EEF2K (0.46) ALDH1A1SMN1; SMN2MAPTL3MBTL1EEF2K
SCHEMBL3547381 0.82 TDP1 (0.48) ALDH1A1L3MBTL1PTPRCCTSSCTSK
SCHEMBL19193984 0.81 L3MBTL1 (0.54) L3MBTL1PTPRCCTSSCTSK
SCHEMBL27551142 0.81 L3MBTL1 (0.54) L3MBTL1PTPRCCTSSCTSK

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
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US disclosed