SCHEMBL10359245

SCHEMBL10359245

N[C@@H](Cc1ccc(C(=O)[C@H](CC(=O)O)NC=O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 7/20 0.48
SLC7A5 Q01650 3/20 0.48
PTGS1 P23219 3/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
XIAP P98170 1/20 0.46
TYR P14679 5/20 0.42
GRB2 P62993 1/20 0.42
ALOX15 P16050 3/20 0.41
HIF1A Q16665 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL10359243 0.84 TPH1 (0.39) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL8844863 0.79 SLC7A5 (0.57) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL11010339 0.78 LNPEP (0.41) HSD17B10ALDH1A1LMNA
SCHEMBL11020769 0.78 LNPEP (0.41) HSD17B10ALDH1A1LMNA
SCHEMBL9618798 0.77 NOS3 (0.42) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL10870900 0.77 NOS3 (0.42) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine Methyl Ester SCHEMBL14988983 0.73 SLC7A5 (0.47) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL7165251 0.73 SLC7A5 (0.56) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL9515152 0.73 ALPI (0.45) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2310526 0.72 SLC7A5 (0.83) TPH1SLC7A5PTGS1ALPIPKM

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