SCHEMBL7535326

SCHEMBL7535326

COc1cc2cc(C(=O)NC(CC(C)C)C(=O)NC3CCCN(S(=O)(=O)c4cn(C)cn4)C[C@@H]3O)oc2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.48
CTSL P07711 13/20 0.48
CTSS P25774 9/20 0.48
CTSB P07858 3/20 0.48
CTSV O60911 2/20 0.48
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.40

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
SCHEMBL7563882 0.90 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7489396 0.89 CTSK (0.61) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14131739 0.79 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092491 0.78 TP53 (0.49) LMNATP53
SCHEMBL7449693 0.77 CTSK (0.72) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4791555 0.76 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092741 0.76 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092743 0.76 CTSK (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6407227 0.76 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099281 0.75 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed