SCHEMBL7742845

SCHEMBL7742845

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.56
CTSK P43235 5/20 0.52
PSMB8 P28062 1/20 0.52
PSMB5 P28074 1/20 0.52
CTSL P07711 3/20 0.51
CTSS P25774 2/20 0.51
CTSB P07858 1/20 0.51
CASP1 P29466 3/20 0.50
MME P08473 1/20 0.50
ECE1 P42892 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7742003 1.00 PSMB1 (0.56) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL7688519 0.92 PSMB1 (0.57) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL5181237 0.89 KYNU (0.60) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL7736831 0.89 KYNU (0.60) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL28968911 0.89 CASP1 (0.62) CTSKCASP1
SCHEMBL6261373 0.89 CASP1 (0.62) CTSKCASP1
SCHEMBL8078067 0.88 PSMB1 (0.56) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL7742013 0.88 CTSL (0.55) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL7742011 0.88 CTSL (0.55) PSMB1CTSKPSMB8PSMB5CTSL
SCHEMBL13439529 0.87 SMN1; SMN2 (0.60) CTSKCTSLCTSSCTSBMME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420166-B2 REACTING AN N-PROTECTED ASPARAGINE ESTER WITH A PROTEASE IN AQUEOUS SOLUTION AT PH OF 6.0 TO 7.5 AND AN ORGANIC SOLVENT, AND EXTRACTING THE N-PROTECTED-D-ASPARAGINE ESTER; CHEMICAL INTERMEDIATES TO ANTIBACTERIAL COMPOUNDS BASOLEA PHARMACEUTICA AG (CH) 2002-07-16 US disclosed
US-20010049127-A1 Process for the preparation of D-asparagine derivatives HOFFMANN-LA ROCHE INC. 2001-12-06 US disclosed
EP-1148140-A1 Process for the preparation of D-asparagine derivatives Basilea Pharmaceutica AG (CH) 2001-10-24 EP disclosed