SCHEMBL19345933

SCHEMBL19345933

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(O)C#N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
MAPT P10636 2/20 0.53
CTSS P25774 10/20 0.48
CTSL P07711 7/20 0.48
CTSB P07858 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSK P43235 4/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5800362 0.97 MAPT (0.57) SYKMAPTCTSSCTSLCTSB
SCHEMBL29458707 0.93 MAPT (0.62) SYKMAPTCTSSL3MBTL1KLK7
SCHEMBL13430765 0.84 MAPT (0.54) SYKMAPTCTSSCTSLCTSB
SCHEMBL5707671 0.84 MAPT (0.60) SYKMAPTL3MBTL1POLBMAPK1
SCHEMBL19345774 0.84 MAPT (0.60) SYKMAPTL3MBTL1POLBMAPK1
SCHEMBL5114952 0.84 MAPT (0.60) SYKMAPTCTSSCTSLCTSB
SCHEMBL29458852 0.83 SYK (0.58) SYKMAPTCTSSCTSLCTSB
SCHEMBL8006799 0.83 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL3881957 0.83 MAPT (0.59) SYKMAPTL3MBTL1POLBMAPK1
SCHEMBL16789691 0.82 MAPT (0.63) SYKMAPTL3MBTL1KLK7KLK5

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-2017156071-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed