SCHEMBL7444607

SCHEMBL7444607

NN1C(=O)[C@H](C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)[C@@H]1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.54
CTSS P25774 8/20 0.54
CTSL P07711 5/20 0.54
TACR1 P25103 2/20 0.48
CTSB P07858 7/20 0.47
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8089807 0.88 CTSK (0.54) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7441597 0.88 CTSK (0.54) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7451988 0.88 CTSK (0.45) CTSKCTSSCTSLTACR1CTSB
SCHEMBL8086238 0.87 CTSK (0.55) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7442716 0.86 CTSK (0.55) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7441709 0.84 CTSL (0.56) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7447225 0.83 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7443686 0.82 CTSK (0.54) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7449390 0.82 CTSK (0.56) CTSKCTSSCTSLTACR1CTSB
SCHEMBL7441742 0.82 CTSK (0.54) CTSKCTSSCTSLTACR1CTSB

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-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP claimed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US claimed
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 claimed
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 claimed
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