SCHEMBL7448015

SCHEMBL7448015

O=C(NCc1ccccc1)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
PSMB1 P20618 1/20 0.59
PSMB5 P28074 1/20 0.59
PSMB2 P49721 1/20 0.59
MME P08473 4/20 0.58
ACE P12821 4/20 0.58
CPA1 P15085 2/20 0.58
ACE2 Q9BYF1 2/20 0.58
ANPEP P15144 1/20 0.58
ATM Q13315 2/20 0.56
FCER2 P06734 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ITGB3 P05106 1/20 0.56
ITGAV P06756 1/20 0.56
CA2 P00918 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.53
ALB P02768 1/20 0.53
IL2 P60568 1/20 0.53

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
SCHEMBL2563448 0.86 ALDH1A1 (0.83) ALDH1A1PSMB5ANPEPATMKMT2A
SCHEMBL8022139 0.86 ALDH1A1 (0.83) ALDH1A1PSMB5ANPEPATMKMT2A
SCHEMBL6020596 0.85 CTSB (0.70) PSMB1PSMB5PSMB2ANPEPFCER2
SCHEMBL9554537 0.83 ALDH1A1 (0.80) ALDH1A1MMEACECPA1ACE2
SCHEMBL1060389 0.83 MME (0.56) MMEACECPA1ACE2FCER2
SCHEMBL2888909 0.83 MME (0.56) MMEACECPA1ACE2FCER2
SCHEMBL6020170 0.82 CTSS (0.58) ALDH1A1PSMB1PSMB5PSMB2MME
SCHEMBL22764712 0.82 MME (0.64) MMEACECPA1ACE2KMT2A
SCHEMBL8201136 0.82 FCER2 (0.69) PSMB1PSMB5PSMB2MMEACE
SCHEMBL8201134 0.82 FCER2 (0.69) PSMB1PSMB5PSMB2MMEACE

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-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