SCHEMBL7109161

SCHEMBL7109161

CSCC[C@H](NC(=O)[C@H](CCSC)NC(C)=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSD P07339 1/20 0.46
BACE1 P56817 1/20 0.46
FOLH1 Q04609 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL7109159 1.00 GNPAT (0.50) GNPATLMNAKDM4EMAPTTHRB
SCHEMBL1332039 0.93 LMNA (0.55) LMNAKDM4EMAPTTHRBALOX15
SCHEMBL109682 0.93 LMNA (0.55) LMNAKDM4EMAPTTHRBALOX15
SCHEMBL109681 0.93 LMNA (0.55) LMNAKDM4EMAPTTHRBALOX15
SCHEMBL109680 0.93 LMNA (0.55) LMNAKDM4EMAPTTHRBALOX15
SCHEMBL30173847 0.92 GNPAT (0.51) GNPATLMNALTA4HBACE1FOLH1
SCHEMBL31107824 0.92 GNPAT (0.51) GNPATLMNALTA4HBACE1FOLH1
SCHEMBL30464991 0.92 GNPAT (0.51) GNPATLMNALTA4HBACE1FOLH1
SCHEMBL11428360 0.91 LMNA (0.54) LMNAKDM4EMAPTTHRBALOX15
SCHEMBL2639626 0.91 LMNA (0.54) LMNAKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873290-B1 PROCESS FOR RACEMIZATION OF N-ACETYL-D(L)-ALPHA-AMINOCARBOXYLIC ACIDS DEGUSSA (DE) 2003-10-01 EP disclosed
EP-0876329-B1 PROCESS FOR THE PRODUCTION OF N-ACETYL-D,L-ALPHA-AMINOCARBOXYLIC ACIDS DEGUSSA (DE) 2001-07-18 EP disclosed
EP-0874801-B1 PROCESS FOR OBTAINING OPTICALLY ACTIVE L-ALPHA-AMINOCARBOXYLIC ACIDS FROM CORRESPONDING RACEMIC D,L-ALPHA-AMINOCARBOXYLIC ACIDS DEGUSSA (DE) 2001-06-13 EP disclosed
US-6114163-A ACETYLATING RACEMIC MIXTURE, NEUTRALIZING SOLUTION, DEACETYLING USING STEREOSPECIFIC ACYLASE TO PRODUCE L-STEREOISOMERS, SEPARATING OUT WANTED PRODUCT, ADJUSTING SOLUTION, RACEMIZING MIXTURE, AND DEACETYLATING AGAIN DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-6080887-A HEATING A MIXTURE COMPRISING THE RACEMIC MIXTURE WITH AT LEAST ONE ALKALI OR ALKALINE EARTH SALT OF N-ACETYL-D(L)-.ALPHA.-AMINO CARBOXYLIC ACID AND ACETIC ANHYDRIDE UNDER NON-AQUEOUS CONDITIONS DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-06-27 US disclosed
EP-0874801-A1 PROCESS FOR OBTAINING OPTICALLY ACTIVE L-ALPHA-AMINOCARBOXYLIC ACIDS FROM CORRESPONDING RACEMIC D,L-ALPHA-AMINOCARBOXYLIC ACIDS Degussa Aktiengesellschaft (DE) 1998-11-04 EP disclosed
EP-0873290-A1 PROCESS FOR RACEMIZATION OF N-ACETYL-D(L)-ALPHA-AMINOCARBOXYLIC ACIDS Degussa Aktiengesellschaft (DE) 1998-10-28 EP disclosed
WO-1997021650-A1 PROCESS FOR RACEMIZATION OF N-ACETYL-D(L)-ALPHA-AMINOCARBOXYLIC ACIDS DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-06-19 WO disclosed
WO-1997021663-A1 PROCESS FOR OBTAINING OPTICALLY ACTIVE L-ALPHA-AMINOCARBOXYLIC ACIDS FROM CORRESPONDING RACEMIC D,L-ALPHA-AMINOCARBOXYLIC ACIDS DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-06-19 WO disclosed