SCHEMBL28155690

SCHEMBL28155690

N[C@@H](Cc1ccccc1)C(=O)ONC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
SLC15A1 P46059 2/20 0.47
LTA4H P09960 1/20 0.45
EPHX1 P07099 1/20 0.45
CTSC P53634 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
TYR P14679 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SRR Q9GZT4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28971482 0.85 DPP4 (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28260760 0.83 EPHX1 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9711285 0.82 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL788933 0.81 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1578212 0.80 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL22772654 0.80 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.79 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL366884 0.79 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4461997 0.79 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14876594 0.79 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5

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-116438158-A Novel synthesis method of L-phenylalanine butyramide 帝斯曼知识产权资产管理有限公司 2023-07-14 CN disclosed
CN-106749511-A Phenylalanine dipeptide phenyl acetamide derivative and its production and use 常州大学 2017-05-31 CN disclosed