SCHEMBL7152135

SCHEMBL7152135

O=C(OC[C@H]1O[C@@H](Br)[C@H](OCc2ccccc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.64
BCHE P06276 2/20 0.46
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
ALOX5 P09917 1/20 0.41
FOLH1 Q04609 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 2/20 0.39
PTPN2 P17706 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 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
SCHEMBL7151020 1.00 NT5E (0.64) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL8998373 0.93 NT5E (0.64) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL7145067 0.88 NT5E (0.65) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL11729874 0.87 ALDH1A1 (0.53) NT5EALDH1A1ALOX5MAPTMEN1
SCHEMBL11313636 0.87 ALDH1A1 (0.53) NT5EALDH1A1ALOX5MAPTMEN1
SCHEMBL11313631 0.87 ALDH1A1 (0.53) NT5EALDH1A1ALOX5MAPTMEN1
SCHEMBL8998269 0.85 NT5E (0.84) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL8998271 0.85 NT5E (0.84) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL7154468 0.82 NT5E (0.65) NT5EBCHEALDH1A1RAB9ANPC1
SCHEMBL1728378 0.79 USP2 (0.54) ALDH1A1MEN1KMT2AUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6143443-A ALL-VANADIUM REDOX BATTERY, COMPRISING THE STABILIZED ELECTROLYTE PINNACLE ARB LIMITED (AU) 2000-11-07 US disclosed
EP-0829104-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1998-03-18 EP disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed