SCHEMBL7474522

SCHEMBL7474522

C[C@](NC(=O)OCc1ccccc1)(C(=O)N[C@@H]1C(=O)N[C@@H]1Oc1cccc(N2CCOCC2)c1)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.44
CTSS P25774 9/20 0.44
CTSL P07711 8/20 0.44
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSB P07858 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.38
KIF11 P52732 2/20 0.37
PRKDC P78527 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7451336 1.00 CTSK (0.44) CTSKCTSSCTSLUSP2ALDH1A1
SCHEMBL7475989 0.87 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL7469816 0.86 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL7444979 0.86 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL7444730 0.81 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL7451327 0.80 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL7474518 0.80 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL7473436 0.72 CTSK (0.60) CTSKCTSSCTSLCTSB
SCHEMBL7448530 0.71 CTSK (0.42) CTSKCTSSCTSLGAACTSB
SCHEMBL7444909 0.71 CTSK (0.54) CTSKCTSSCTSLCTSBMEN1

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