SCHEMBL14636351

SCHEMBL14636351

CN(CCc1ccccc1)C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.56
CTSS P25774 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
JAK3 P52333 1/20 0.50
BTK Q06187 1/20 0.50
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MAPT P10636 1/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL13701263 0.85 MAPT (0.54) MEN1KMT2AMAPTKLK7KLK5
SCHEMBL5311249 0.83 MAPT (0.52) CTSKMAPTKLK7KLK5
SCHEMBL7977011 0.82 CA1 (0.43) CTSKCTSSJAK3BTK
SCHEMBL18942773 0.82 MAPT (0.64) MAPTKLK7KLK5
SCHEMBL24095930 0.81 CTSK (0.50) CTSKCTSS
SCHEMBL5307802 0.80 SYK (0.49) CTSKMMP1MMP3MMP9MAPT
SCHEMBL7549143 0.80 KLK7 (0.64) CTSKMEN1KMT2AMAPTKLK7
SCHEMBL7943183 0.79 JAK3 (0.62) JAK3BTKMAPTKLK7KLK5
SCHEMBL7943185 0.79 JAK3 (0.62) JAK3BTKMAPTKLK7KLK5
SCHEMBL17646424 0.79 JAK3 (0.62) JAK3BTKMAPTKLK7KLK5

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-2013011526-A1 PROCESS FOR PREPARATION OF LISDEXAMPHETAMINE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed