SCHEMBL7318397

SCHEMBL7318397

CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.62
CTSL P07711 12/20 0.62
CTSS P25774 10/20 0.62
CTSB P07858 5/20 0.54
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
CDC25B P30305 1/20 0.44
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7161878 0.92 CTSK (0.72) CTSKCTSLCTSSCTSBHDAC8
SCHEMBL7448521 0.89 CTSK (0.64) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7322571 0.88 CTSK (0.62) CTSKCTSLCTSSCTSB
SCHEMBL7447893 0.87 CTSK (0.61) CTSKCTSLCTSSCTSBMMP9
SCHEMBL7444722 0.87 CTSK (0.83) CTSKCTSLCTSSCTSB
SCHEMBL7443856 0.85 CTSK (0.56) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7471917 0.85 CTSK (0.50) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7443973 0.83 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL7318976 0.83 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL7452773 0.82 CTSK (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US disclosed
EP-0961779-A1 SUBSTITUTED AMINO BICYCLIC-$g(b)-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-12-08 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed