SCHEMBL28660345

SCHEMBL28660345

NOC(=O)[C@@H](N)Cc1ccccc1.[H+]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.63
ALPI P09923 1/20 0.63
PKM P14618 1/20 0.63
PTGS1 P23219 1/20 0.63
XIAP P98170 1/20 0.63
SLC15A1 P46059 2/20 0.54
SRR Q9GZT4 2/20 0.53
LTA4H P09960 1/20 0.51
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
HDAC8 Q9BY41 2/20 0.49
TYR P14679 1/20 0.48
CYP1A2 P05177 1/20 0.47
EPHX1 P07099 1/20 0.47
CTSC P53634 1/20 0.46
ANPEP P15144 1/20 0.46
LAP3 P28838 1/20 0.46

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
SCHEMBL5968413 0.98 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL299389 0.98 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27632375 0.98 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27297692 0.96 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
Carbamic Acid SCHEMBL27955343 0.95 ALPI (0.61) SLC7A5ALPIPKMPTGS1XIAP
Nitrous Acid SCHEMBL28206840 0.91 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28820471 0.89 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8835936 0.89 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL288607 0.89 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29160724 0.87 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP

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-111606975-B Cyclic peptide compound extracted from Phakellia fusca and preparation method and application thereof 上海交通大学医学院附属仁济医院 2021-12-24 CN disclosed