SCHEMBL8705707

SCHEMBL8705707

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC15A1 P46059 2/20 0.42
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 3/20 0.40
CTSC P53634 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL366884 0.80 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4690192 0.79 CA2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4690197 0.79 CA2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28787373 0.77 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL4996192 0.77 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL9301524 0.77 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL9356083 0.77 SLC7A5 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9711285 0.76 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL788933 0.75 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28872276 0.75 ALPI (0.58) 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
US-5719119-A NON-HYPERCHLOREMIC AQUEOUS SOLUTION CONTAINING GLUTAMINE AND OTHER METABOLIZABLE AMINO ACID COMPOUNDS MIXED IN SAME PROPORTION AS NATURAL BLOOD FOR NORMALIZED CELLULAR PHOSPHORYLATION; SIDE EFFECT REDUCTION BRITISH TECHNOLOGY GROUP, LTD. (GB) 1998-02-17 US claimed