SCHEMBL7538324

SCHEMBL7538324

C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)O)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
ALOX5 P09917 2/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
MME P08473 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL1434038 0.82 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1PTGS1
SCHEMBL6690977 0.82 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1PTGS1
SCHEMBL7543379 0.77 ALDH1A1 (0.37) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL9057454 0.70 ALOX5 (0.38) SLC1A3SLC1A2SLC1A1ALOX5CHRM2
SCHEMBL3610281 0.70 ALOX5 (0.38) SLC1A3SLC1A2SLC1A1ALOX5CHRM2
SCHEMBL10881862 0.70 MLYCD (0.40) CHRM2CHRM1CHRM3
SCHEMBL23923952 0.69 KMT2A (0.42) ALDH1A1L3MBTL1PTGS1PTGS2
SCHEMBL421787 0.69 KMT2A (0.42) ALDH1A1L3MBTL1PTGS1PTGS2
SCHEMBL7826559 0.69 CHRM2 (0.43) ALDH1A1L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL7825113 0.69 CHRM2 (0.43) ALDH1A1L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837877-B8 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2002-05-15 EP disclosed
EP-0837877-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP disclosed
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US disclosed
EP-0837877-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1998-04-29 EP disclosed
WO-1996037507-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1996-11-28 WO disclosed