SCHEMBL4686506

SCHEMBL4686506

CC(C)CC(NC(=O)Oc1cc2sccc2s1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc[n+]2[O-])CC1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.51
CTSL P07711 12/20 0.45
CTSS P25774 10/20 0.45
CTSB P07858 5/20 0.45
CTSV O60911 1/20 0.45

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
SCHEMBL4689766 0.85 CTSK (0.62) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4765007 0.82 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7565605 0.81 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4692566 0.81 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686496 0.81 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7427143 0.80 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7484143 0.80 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048747 0.80 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4686493 0.79 CTSK (0.50) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4792835 0.79 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV

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-1384713-B1 4-amino-azepan-3-one derivatives as protease inhibitors SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed