SCHEMBL7764455

SCHEMBL7764455

C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.65
CASP1 P29466 11/20 0.61
CTSK P43235 2/20 0.56
CASP3 P42574 4/20 0.55
CASP7 P55210 4/20 0.55
CASP4 P49662 2/20 0.55
MMP14 P50281 1/20 0.55
CASP9 P55211 2/20 0.55
CASP10 Q92851 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
CASP8 Q14790 1/20 0.55
CTSS P25774 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
SCHEMBL7764419 1.00 MMP9 (0.65) MMP9CASP1CTSKCASP3CASP7
SCHEMBL8401067 0.90 MMP9 (0.59) MMP9CASP1CTSKCASP3CASP7
SCHEMBL19015747 0.90 MMP9 (0.62) MMP9CASP1CTSKMMP14CYP3A4
SCHEMBL10797754 0.89 CTSL (0.66) MMP9CTSKMMP14CTSS
SCHEMBL10453892 0.86 CAPN1 (0.61) CASP1CTSK
SCHEMBL16770335 0.85 CASP3 (0.59) CASP1CTSKCASP3CASP7CASP4
SCHEMBL7760223 0.85 CASP1 (0.58) CASP1CTSKCASP3CASP7CASP4
SCHEMBL21469067 0.85 ATM (0.68) MMP9CTSKCYP3A4TSHRCTSS
SCHEMBL30460502 0.85 ATM (0.68) MMP9CTSKCYP3A4TSHRCTSS
SCHEMBL8530402 0.85 ATM (0.68) MMP9CTSKCYP3A4TSHRCTSS

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-0845455-B1 Addition salts of N-acyl aspartic acid and alpha-arylalkylamines and process for the optical resolution of alpha-arylalkylamines AJINOMOTO KK (JP) 2001-05-16 EP disclosed
EP-0688760-B1 Addition salts of acyl-amino acids and alpha-aryl-amines and process for the optical resolution of alpha-arylamines AJINOMOTO KK (JP) 1999-06-09 EP disclosed
EP-0845455-A1 Addition salts of acyl-amino acids and alpha-arylamines and process for the optical resolution of alpha-arylamines Ajinomoto Co., Inc. (JP) 1998-06-03 EP disclosed
EP-0688760-A1 Addition salts of acyl-amino acids and alpha-aryl-amines and process for the optical resolution of alpha-arylamines Ajinomoto Co., Inc. (JP) 1995-12-27 EP disclosed