SCHEMBL29281345

SCHEMBL29281345

NC(=O)OC(=O)C(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
SLC15A1 P46059 2/20 0.53
LTA4H P09960 1/20 0.50
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
HDAC8 Q9BY41 2/20 0.47
SRR Q9GZT4 2/20 0.47
EPHX1 P07099 2/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CTSC P53634 1/20 0.45
ANPEP P15144 1/20 0.44
LAP3 P28838 1/20 0.44

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
SCHEMBL934785 1.00 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8835936 0.91 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL288607 0.91 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28820471 0.91 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29160724 0.89 SLC7A5 (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29016428 0.88 SLC7A5 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29016427 0.88 SLC7A5 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8609126 0.87 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1526409 0.87 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27232046 0.87 ALPI (0.63) 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-220780274-U Hydrolysis equipment for production of phenylalaninol 东港市宏达制药有限公司 2024-04-16 CN disclosed