SCHEMBL4765034

SCHEMBL4765034

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H](C)N(C(=O)OCc2ccccc2)C[C@H]1O.CCN=C=NCCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.53
CTSL P07711 6/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 2/20 0.40
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6212611 1.00 CTSK (0.53) CTSKCTSLCTSSCTSBKLK7
SCHEMBL6242917 1.00 CTSK (0.53) CTSKCTSLCTSSCTSBKLK7
SCHEMBL4315826 0.88 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4315832 0.88 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4328791 0.88 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4328786 0.88 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4309653 0.88 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4309648 0.88 CTSK (0.62) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6580495 0.79 CTSK (0.77) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6741712 0.77 CTSK (0.50) CTSKCTSLCTSSCTSBKLK7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed