SCHEMBL5114952

SCHEMBL5114952

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
SYK P43405 1/20 0.56
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
CTSL P07711 4/20 0.51
CTSS P25774 4/20 0.51
CTSK P43235 2/20 0.51
CTSB P07858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
FOLH1 Q04609 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 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
SCHEMBL5800362 0.87 MAPT (0.57) MAPTSYKKLK7KLK5CTSL
SCHEMBL24845372 0.85 MAPT (0.64) MAPTSYKKLK7KLK5L3MBTL1
SCHEMBL27497192 0.84 KLK7 (0.63) MAPTSYKKLK7KLK5FOLH1
SCHEMBL1491720 0.84 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL699636 0.84 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL30544856 0.84 KLK7 (0.63) MAPTSYKKLK7KLK5FOLH1
SCHEMBL2467817 0.84 FOLH1 (0.65) MAPTSYKKLK7KLK5FOLH1
SCHEMBL19345933 0.84 SYK (0.54) MAPTSYKKLK7KLK5CTSL
SCHEMBL15628113 0.84 MAPT (0.51) MAPTCTSLCTSSCTSKCTSB
SCHEMBL13430765 0.84 MAPT (0.54) MAPTSYKKLK7KLK5CTSL

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
US-7371579-B1 Nickel-based reagents for detecting DNA and DNA-protein contacts THE UNIVERSITY OF MARYLAND (US) 2008-05-13 US disclosed