SCHEMBL7326845

SCHEMBL7326845

CC(=O)Br.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.70
CAPN1 P07384 2/20 0.67
CTSL P07711 7/20 0.66
CTSB P07858 4/20 0.66
CTSS P25774 3/20 0.66

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
SCHEMBL4872585 0.95 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL14148467 0.95 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL2930262 0.95 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL8823918 0.95 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7318823 0.95 CTSK (0.69) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL25406813 0.95 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL20770085 0.95 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7325036 0.94 CAPN1 (0.72) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL8585293 0.92 CAPN1 (0.72) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7326839 0.91 CTSK (0.67) CTSKCAPN1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP claimed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO claimed
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP disclosed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO disclosed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed