SCHEMBL7865836

SCHEMBL7865836

N[C@@H](Cc1ccc(O)cc1)C(=O)OC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.49
HDAC8 Q9BY41 2/20 0.42
MMP2 P08253 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
TYR P14679 1/20 0.40
BACE1 P56817 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRM1 P35372 3/20 0.38

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
Tyrosine SCHEMBL7373361 0.85 SLC7A5 (0.60) SLC7A5HDAC8MMP2ALPIPKM
SCHEMBL8513737 0.84 SLC7A5 (0.50) SLC7A5HDAC8MMP2ALPIPKM
SCHEMBL4587552 0.80 KIF11 (0.39) MMP2PKMPTGS1
SCHEMBL9636558 0.77 SLC7A5 (0.58) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL16415724 0.77 SLC7A5 (0.55) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL1067685 0.76 SLC7A5 (0.56) SLC7A5HDAC8MMP2
SCHEMBL1422055 0.75 SLC7A5 (0.64) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL17731623 0.75 SLC7A5 (0.59) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL28211011 0.75 SLC7A5 (0.55) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL28211012 0.75 SLC7A5 (0.55) SLC7A5HDAC8ALPIPKMPTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300495-B1 REACTING ORGANIC AMINE SALT OF CLAVULANIC ACID WITH METAL SALT IN LIQUID MEDIUM OF FLUORINATED AND/OR CHLORINATED HYDROCARBON SMITHKLINE BEECHAM P.L.C. (GB) 2001-10-09 US disclosed
EP-0970087-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
WO-1998045300-A1 A PROCESS FOR THE PREPARATION OF A METAL SALT OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed
EP-0804441-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 1997-11-05 EP disclosed
WO-1996022296-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-25 WO disclosed