SCHEMBL8037232

SCHEMBL8037232

N[C@@H](CC(=O)O)C(=O)Nc1ccccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
SLC15A1 P46059 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11646576 1.00 LTA4H (0.47) LTA4HS1PR1S1PR3L3MBTL1PTGDR2
SCHEMBL3895825 0.85 LNPEP (0.37) LTA4HL3MBTL1NOS3NOS1NOS2
SCHEMBL6046896 0.80 HDAC1 (0.51) LTA4H
SCHEMBL8171158 0.80 GAA (0.57) LTA4HS1PR1S1PR3KDM4EMEN1
SCHEMBL10434926 0.79 CYP3A4 (0.38) LTA4HL3MBTL1KDM4EMEN1KMT2A
SCHEMBL8213428 0.79 KDM4E (0.57) LTA4HL3MBTL1KDM4ERECQLMEN1
SCHEMBL27295441 0.77 KDM4E (0.57) LTA4HKDM4EMEN1GAAKMT2A
SCHEMBL27295439 0.77 KDM4E (0.57) LTA4HKDM4EMEN1GAAKMT2A
SCHEMBL3954076 0.76 LTA4H (0.67) LTA4HS1PR1S1PR3SLC1A3SLC1A2
SCHEMBL2309395 0.76 LTA4H (0.67) LTA4HS1PR1S1PR3SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547342-B1 Method for crystallization of alpha-L-aspartyl-L-phenylalanine methyl ester AJINOMOTO KK (JP) 2000-04-05 EP claimed
EP-0751146-A1 Crystallization of alpha-L-aspartyl-l-phenylalanine methyl ester from aqueous solution HOLLAND SWEETENER COMPANY V.O.F. (NL) 1997-01-02 EP disclosed
WO-1991013860-A1 METHOD FOR INCREASING THE ALPHA TO BETA RATIO IN AN ASPARTAME COUPLING REACTION THE NUTRASWEET COMPANY (US) 1991-09-19 WO disclosed
US-4071615-A DIPEPTIDE SWEETENER COLGATE PALMOLIVE COMPANY (US) 1978-01-31 US disclosed