SCHEMBL8338243

SCHEMBL8338243

C[C@@H]1CC[C@H](NC(=O)C(CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 1.00
CTSL P07711 19/20 1.00
CTSS P25774 18/20 1.00
CTSV O60911 1/20 0.60
CTSB P07858 1/20 0.60

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
SCHEMBL8337690 1.00 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6841469 0.88 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842286 0.87 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6215911 0.76 CTSK (0.81) CTSKCTSLCTSSCTSVCTSB
SCHEMBL7491445 0.76 CTSK (0.77) CTSKCTSLCTSSCTSVCTSB
Relacatib SCHEMBL23856125 0.75 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
Relacatib SCHEMBL7258401 0.75 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
Relacatib SCHEMBL6841517 0.75 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
Relacatib SCHEMBL1587331 0.75 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB
Relacatib SCHEMBL6215260 0.75 CTSK (1.00) CTSKCTSLCTSSCTSVCTSB

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-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed