SCHEMBL8513737

SCHEMBL8513737

N[C@@H](Cc1ccc(O)cc1)C(=O)OC(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
HDAC8 Q9BY41 2/20 0.43
TYR P14679 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
SLC15A1 P46059 2/20 0.41
MMP2 P08253 1/20 0.40
BACE1 P56817 2/20 0.40
CPA1 P15085 2/20 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
SCHEMBL7865836 0.84 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9636558 0.81 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1422055 0.79 SLC7A5 (0.64) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17731623 0.79 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL121369 0.78 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL26023571 0.78 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16080193 0.78 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL25982889 0.78 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL630209 0.78 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9831417 0.76 SLC7A5 (0.60) 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
US-20120136416-A1 Caged Neuropeptides: modulation and measurement of synapse and signaling activity; and methods for drug evaluation, pharmaceuticals preparation and treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-31 US disclosed