SCHEMBL27624203

SCHEMBL27624203

CCOC(=O)[C@@H](N)Cc1ccccc1C(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
SCN9A Q15858 1/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP8 P22894 2/20 0.39
PIN1 Q13526 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TACR1 P25103 2/20 0.37
FFAR1 O14842 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
SCHEMBL27624205 1.00 MEN1 (0.43) MEN1KMT2ANPC1SCN9ATSHR
SCHEMBL27296261 0.88 KMT2A (0.42) KMT2AALDH1A1HSD17B10KDM4ENOS3
SCHEMBL9543040 0.88 KMT2A (0.42) KMT2AALDH1A1HSD17B10KDM4ENOS3
Hydrochloric Acid SCHEMBL27327728 0.87 KMT2A (0.41) KMT2AALDH1A1HSD17B10KDM4ENOS3
Hydrochloric Acid SCHEMBL27327731 0.87 KMT2A (0.41) KMT2AALDH1A1HSD17B10KDM4ENOS3
Hydrochloric Acid SCHEMBL27317179 0.86 KMT2A (0.40) KMT2AALDH1A1HSD17B10KDM4ENOS3
SCHEMBL27293026 0.83 NOS3 (0.50) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL27293020 0.83 NOS3 (0.50) MEN1KMT2ATSHRALDH1A1HSD17B10
SCHEMBL11235530 0.82 CYP2D6 (0.43) NOS3NOS1NOS2
Phenylalanine SCHEMBL27624223 0.78 SLC7A5 (0.61) MEN1KMT2AALDH1A1KDM4ENOS3

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
CN-100362109-C Method for producing alpha-L-aspartyl-L-phenylalanine-beta-ester and method for producing alpha-L-aspartyl-L-phenylalanine-alpha-methyl ester AJINOMOTO KK (JP) 2008-01-16 CN disclosed
CN-1742089-A Method for producing alpha-L-aspartyl-L-phenylalanine-beta-ester and method for producing alpha-L-aspartyl-L-phenylalanine-alpha-methyl ester AJINOMOTO KK (JP) 2006-03-01 CN disclosed