SCHEMBL7474486

SCHEMBL7474486

O=C(CCc1ccccc1)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1C(=O)NC1Sc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.61
CTSL P07711 9/20 0.61
CTSS P25774 8/20 0.61
CTSB P07858 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
CDC25B P30305 1/20 0.43
FCER2 P06734 2/20 0.42
HDAC8 Q9BY41 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40

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
SCHEMBL7445750 0.88 CTSK (0.46) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7471828 0.84 CTSK (0.61) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7448521 0.82 CTSK (0.64) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7318397 0.81 CTSK (0.62) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7033255 0.81 CTSS (0.57) CTSKCTSLCTSSCTSBMMP2
SCHEMBL5934662 0.81 CTSS (0.57) CTSKCTSLCTSSCTSBMMP2
SCHEMBL7471917 0.79 CTSK (0.50) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7443856 0.77 CTSK (0.56) CTSKCTSLCTSSCTSBPTPN2
SCHEMBL7441730 0.76 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7443679 0.76 CTSK (1.00) 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 6 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 claimed
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 claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 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-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed