SCHEMBL7947144

SCHEMBL7947144

CO[C@](C(=O)O[C@H](CC#N)CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.41
CTSK P43235 3/20 0.38
CTSL P07711 3/20 0.37
CTSB P07858 2/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL7947148 0.82 CTSS (0.47) CTSSCTSKCTSLCTSBKLK7
SCHEMBL7949794 0.75 CTSK (0.45) CTSKKLK7KLK5
SCHEMBL7944746 0.75 CTSK (0.45) CTSKKLK7KLK5
SCHEMBL7946189 0.73 KLK7 (0.60) KLK7KLK5
SCHEMBL6367781 0.73 KLK7 (0.52) CTSKKLK7KLK5
SCHEMBL6363676 0.73 KLK7 (0.52) CTSKKLK7KLK5
SCHEMBL7663223 0.70 CTSS (0.48) CTSSCTSKCTSLCTSB
SCHEMBL7947146 0.68 MAPT (0.51) CTSKKLK7KLK5
SCHEMBL6757854 0.68 MAPT (0.59) KLK7KLK5
SCHEMBL30819629 0.68 SIRT2 (0.48) CTSSCTSLKLK7KLK5

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-6248866-B1 MULTISTEP PROCESS FOR PRODUCTION OF PROTECTED HYPUSINE STARTING FROM PROTECTED, ESTERIFIED LYSINE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2001-06-19 US disclosed