SCHEMBL6587126

SCHEMBL6587126

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)O)C(=O)NCC#N

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.75
CTSK P43235 15/20 0.75
CTSL P07711 3/20 0.63
CTSB P07858 2/20 0.63

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
SCHEMBL6872650 1.00 CTSS (0.75) CTSSCTSKCTSLCTSB
SCHEMBL20143076 0.84 MEN1 (0.55) CTSSCTSKCTSLCTSB
SCHEMBL6587122 0.82 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL5530693 0.82 CTSS (0.69) CTSSCTSKCTSLCTSB
SCHEMBL12179560 0.81 TDP1 (0.58) CTSSCTSK
SCHEMBL1565973 0.81 CTSS (0.58) CTSSCTSKCTSLCTSB
SCHEMBL13314166 0.81 CTSS (0.58) CTSSCTSKCTSLCTSB
SCHEMBL16504634 0.81 MEN1 (0.58) CTSSCTSKCTSLCTSB
SCHEMBL16504731 0.81 MEN1 (0.58) CTSSCTSKCTSLCTSB
SCHEMBL14378789 0.81 MEN1 (0.58) CTSSCTSKCTSLCTSB

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
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed