SCHEMBL7426616

SCHEMBL7426616

CC(C)CC(NC(=O)c1cccs1)C(=O)NC1CCCN(S(=O)(=O)c2cccc[n+]2[O-])C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
UTS2R Q9UKP6 2/20 0.41
HSPA5 P11021 1/20 0.40
HSPA2 P54652 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSS P25774 5/20 0.38
CTSL P07711 4/20 0.38
CTSB P07858 3/20 0.37
CTSV O60911 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1B Q00975 2/20 0.37

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
SCHEMBL7207130 0.88 CTSK (0.45) CTSKKMT2ACTSSCTSLCTSB
SCHEMBL5099268 0.86 CTSK (0.41) CTSKCTSSCTSLCTSBCTSV
SCHEMBL4765007 0.85 CTSK (0.54) CTSKCTSSCTSLCTSBCTSV
SCHEMBL7427560 0.84 CTSK (0.41) CTSKUTS2RMEN1KMT2ACTSS
SCHEMBL7565325 0.84 CTSK (0.45) CTSKMEN1KMT2ACTSSCTSL
SCHEMBL4687294 0.84 CTSK (0.45) CTSKMEN1KMT2ACTSSCTSL
SCHEMBL5096704 0.84 CACNA1B (0.42) CTSKCACNA1B
SCHEMBL14131846 0.84 CACNA1B (0.42) CTSKCACNA1B
SCHEMBL5096443 0.84 CTSK (0.41) CTSKKMT2ACTSSCTSLCTSB
SCHEMBL6596974 0.84 CTSK (0.55) CTSKUTS2RMEN1KMT2ACTSS

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