SCHEMBL788933

SCHEMBL788933

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
SLC15A1 P46059 2/20 0.50
LTA4H P09960 1/20 0.47
CTSC P53634 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
HDAC8 Q9BY41 2/20 0.45
SRR Q9GZT4 1/20 0.45
EPHX1 P07099 1/20 0.45
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 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
SCHEMBL4461997 0.89 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11274256 0.86 SLC7A5 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7646269 0.85 SLC7A5 (0.57) SLC7A5HDAC8
SCHEMBL9711285 0.85 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8024394 0.84 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.82 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL366884 0.82 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14876594 0.82 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28267046 0.81 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL186022 0.81 SLC7A5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013055920-A1 METHODS AND COMPOSITIONS FOR TREATING PARASITIC WORM INFECTIONS IN A MAMMAL MICROBES, INC. (US) 2013-04-18 WO disclosed
WO-2012037352-A2 METHODS AND COMPOSITIONS FOR REDUCING PATHOGENS IN SOIL AND IMPROVING PLANT GROWTH MICROBES, INC. (US) 2012-03-22 WO disclosed