SCHEMBL10359243

SCHEMBL10359243

N[C@@H](CC(=O)O)C(=O)c1ccc(C[C@H](NC=O)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.39
SLC7A5 Q01650 2/20 0.38
PTPN1 P18031 2/20 0.38
CA2 P00918 8/20 0.38
CA1 P00915 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11020769 0.88 LNPEP (0.41) L3MBTL1
SCHEMBL11010339 0.88 LNPEP (0.41) L3MBTL1
SCHEMBL10359245 0.84 TPH1 (0.48) TPH1SLC7A5MEN1KMT2AALPI
SCHEMBL8844863 0.79 SLC7A5 (0.57) TPH1SLC7A5PTPN1MEN1KMT2A
SCHEMBL27849759 0.77 ALPI (0.35) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL10870881 0.77 ALPI (0.35) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11235526 0.76 TAAR1 (0.49)
SCHEMBL3799467 0.75 FOLH1 (0.54) SLC7A5CA2CA1MEN1KMT2A
SCHEMBL4611286 0.75 FOLH1 (0.54) SLC7A5CA2CA1MEN1KMT2A
SCHEMBL2703294 0.75 FOLH1 (0.54) SLC7A5CA2CA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200311-B1 PREPARATION PROCESS OF ALPHA-L-ASPARTYL-L-PHENYLALANINE METHYL ESTER OR HYDROCHLORIDE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-10 EP disclosed