SCHEMBL7006957

SCHEMBL7006957

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCN(C(=O)O)CC1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSL P07711 4/20 0.47
CTSS P25774 3/20 0.47
CTSB P07858 1/20 0.47
MAPK1 P28482 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CAPN1 P07384 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL4690697 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4690689 0.89 CTSK (0.48) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL5092818 0.87 CTSK (0.57) CTSKCTSLCTSSMAPK1MEN1
SCHEMBL5092831 0.87 CTSK (0.57) CTSKCTSLCTSSMAPK1MEN1
SCHEMBL5096557 0.86 CTSK (0.56) CTSKCTSLCTSSMAPK1MEN1
SCHEMBL5096549 0.86 CTSK (0.56) CTSKCTSLCTSSMAPK1MEN1
SCHEMBL4686404 0.84 CTSK (0.70) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL4686405 0.84 CTSK (0.70) CTSKCTSLCTSSCTSBMAPK1
SCHEMBL6771594 0.83 CTSK (0.52) CTSKCTSLCTSSMAPK1MEN1
SCHEMBL5096430 0.82 CTSK (0.51) CTSKCTSLCTSSMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1231923-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-14 EP disclosed
EP-1229912-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP disclosed
EP-1229911-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-07 EP disclosed
EP-1235577-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
EP-1235577-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-09-04 EP disclosed
EP-1231923-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-21 EP disclosed
EP-1229911-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2002-08-14 EP disclosed
EP-1229912-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-14 EP disclosed
WO-2001034565-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034153-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034154-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed
WO-2001034157-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed