SCHEMBL8312973

SCHEMBL8312973

CC(=O)C(CN1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.56
CTSL P07711 5/20 0.56
CTSS P25774 4/20 0.56
CTSB P07858 3/20 0.56
CAPN1 P07384 2/20 0.52

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
SCHEMBL13914058 0.90 CTSK (0.53) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL31376796 0.83 GAA (0.50) CTSKCTSLCTSSCTSB
SCHEMBL29440261 0.83 KYNU (0.51) CTSKCTSLCTSSCTSB
SCHEMBL29062806 0.83 GAA (0.50) CTSKCTSLCTSSCTSB
SCHEMBL12242779 0.83 CTSK (0.75) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL22415806 0.83 CTSK (0.75) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL14415432 0.83 CTSK (0.75) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL24961014 0.79 CTSL (0.73) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL14611591 0.78 CTSK (0.74) CTSKCTSLCTSSCTSB
SCHEMBL4872585 0.77 CTSK (0.77) CTSKCTSLCTSSCTSBCAPN1

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-2004101742-A2 PROTEASE INHIBITORS FOR CORONAVIRUSES AND SARS-COV AND THE USE THEREOF CYTOVIA, INC (US) 2004-11-25 WO disclosed