SCHEMBL5181237

SCHEMBL5181237

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
PSMB1 P20618 1/20 0.58
CTSK P43235 3/20 0.54
PSMB8 P28062 1/20 0.53
PSMB5 P28074 1/20 0.53
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CASP1 P29466 3/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
CAPN1 P07384 1/20 0.52
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
TACR1 P25103 2/20 0.51

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
SCHEMBL7736831 1.00 KYNU (0.60) KYNUALDH1A1ALOX15PSMB1CTSK
SCHEMBL7688519 0.92 PSMB1 (0.57) PSMB1CTSKPSMB8PSMB5CTSS
SCHEMBL8078067 0.90 PSMB1 (0.56) PSMB1CTSKPSMB8PSMB5CTSS
SCHEMBL7742003 0.89 PSMB1 (0.56) ALDH1A1ALOX15PSMB1CTSKPSMB8
SCHEMBL7742845 0.89 PSMB1 (0.56) ALDH1A1ALOX15PSMB1CTSKPSMB8
SCHEMBL10746345 0.89 CAPN1 (0.61) ALDH1A1ALOX15PSMB1CTSKPSMB8
SCHEMBL10746340 0.89 CAPN1 (0.61) ALDH1A1ALOX15PSMB1CTSKPSMB8
SCHEMBL13724740 0.89 CASP1 (0.64) KYNUALDH1A1ALOX15CTSKCASP1
SCHEMBL1067460 0.89 CASP1 (0.64) KYNUALDH1A1ALOX15CTSKCASP1
SCHEMBL19695419 0.89 CASP1 (0.64) KYNUALDH1A1ALOX15CTSKCASP1

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-1236716-B1 Methods for making optically active 3-aminopyrrolidine-2,5-dione derivative and optically active 3-aminopyrrolidine derivative TORAY FINECHEMICALS CO LTD (JP) 2007-04-11 EP disclosed
EP-1236716-A1 Methods for making optically active 3-aminopyrrolidine-2,5-dione derivative and optically active 3-aminopyrrolidine derivative TORAY INDUSTRIES, INC. (JP) 2002-09-04 EP disclosed
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-6348600-B1 CYCLIZING OPTICALLY ACTIVE ASPARAGINE ESTER DERIVATIVE OR ACID SALT THEREOF BY DISSOLVING COMPOUND IN SOLVENT TORAY INDUSTRIES, INC. (JP) 2002-02-19 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