SCHEMBL29112223

SCHEMBL29112223

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
SRR Q9GZT4 2/20 0.43
HPGD P15428 1/20 0.42
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LTA4H P09960 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
SCHEMBL29112225 1.00 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4985134 0.87 ACE (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL31530460 0.84 MMP2 (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555192 0.83 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28718550 0.83 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555186 0.83 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10646229 0.82 SLC1A3 (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18568243 0.81 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27543960 0.81 SLC1A3 (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10584413 0.80 SLC7A5 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116926141-A Method for synthesizing acetylated amino acid and oligopeptide by catalyzing food-grade enzyme preparation 华南理工大学 2023-10-24 CN disclosed