SCHEMBL7775655

SCHEMBL7775655

Cc1ccc([C@](CC(C)(C)C)(C(=O)O)N(C(=O)OCc2ccccc2)C(=O)[C@@H](N)CC(=O)O)s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.32
SLC15A1 P46059 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CASP1 P29466 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11698202 0.71 LTA4H (0.40) LTA4HSMN1; SMN2ABCB1SLC15A1ALDH1A1
SCHEMBL11696239 0.67 LTA4H (0.37) LTA4HSMN1; SMN2ABCB1SLC15A1CASP1
SCHEMBL7775661 0.66 LTA4H (0.33) LTA4HSMN1; SMN2ABCB1SLC15A1CTSL
SCHEMBL8346336 0.66 CHRM2 (0.36) LTA4HSMN1; SMN2ABCB1SLC15A1CTSL
SCHEMBL11280290 0.65 SLC15A1 (0.43) LTA4HSMN1; SMN2SLC15A1ALDH1A1
SCHEMBL10901317 0.65 SLC15A1 (0.43) LTA4HSMN1; SMN2SLC15A1ALDH1A1
SCHEMBL8342232 0.65 S1PR1 (0.39) LTA4HSMN1; SMN2ALDH1A1
SCHEMBL169622 0.64 LTA4H (0.54) LTA4HSMN1; SMN2SLC15A1ALDH1A1
SCHEMBL27873595 0.64 LTA4H (0.54) LTA4HSMN1; SMN2SLC15A1ALDH1A1
SCHEMBL304415 0.64 LTA4H (0.54) LTA4HSMN1; SMN2SLC15A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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