SCHEMBL7436896

SCHEMBL7436896

CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.67
CTSL P07711 12/20 0.67
CTSS P25774 11/20 0.67
CTSB P07858 6/20 0.59
LTA4H P09960 1/20 0.45

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
SCHEMBL7452773 0.87 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL7363047 0.86 CTSL (0.66) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL7361168 0.86 CTSL (0.66) CTSKCTSLCTSSCTSBLTA4H
SCHEMBL8086163 0.85 CTSK (0.79) CTSKCTSLCTSSCTSB
SCHEMBL8086228 0.82 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL7438845 0.81 CTSL (0.57) CTSKCTSLCTSSCTSB
SCHEMBL7160147 0.81 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7161878 0.81 CTSK (0.72) CTSKCTSLCTSSCTSB
SCHEMBL10802809 0.81 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL10757111 0.81 CTSK (0.73) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed