SCHEMBL344883

SCHEMBL344883

O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.63
CYP1A2 P05177 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL9149866 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL154485 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL4830684 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL4277097 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL3289586 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL79438 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL154484 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL10814176 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL3138148 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1
SCHEMBL8439741 1.00 TYR (0.63) TYRCYP1A2NFKB1THPOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431379-B2 Thermal and acid tolerant beta xylosidases, arabinofuranosidases, genes encoding, related organisms, and methods BATTELLE ENERGY ALLIANCE, LLC (US) 2013-04-30 US disclosed
US-8202716-B2 Thermophilic and thermoacidophilic biopolymer-degrading genes and enzymes from alicyclobacillus acidocaldarius and related organisms, methods BATTELLE ENERGY ALLIANCE, LLC (US) 2012-06-19 US disclosed
US-20120015407-A1 Thermophilic and thermoacidophilic biopolymer-degrading genes and enzymes from alicyclobacillus acidocaldarius and related organisms, methods BATTELLE ENERGY ALLIANCE, LLC (US) 2012-01-19 US disclosed
US-7858353-B2 Thermophilic and thermoacidophilic biopolymer-degrading genes and enzymes from alicyclobacillus acidocaldarius and related organisms, methods BATTELLE ENERGY ALLIANCE, LLC (US) 2010-12-28 US disclosed
US-20100311110-A1 Thermal and acid tolerant beta xylosidases, arabinofuranosidases, genes encoding, related organisms, and methods BATTELLE ENERGY ALLIANCE, LLC (US) 2010-12-09 US disclosed
EP-2235174-A1 THERMOPHILIC AND THERMOACIDOPHILIC BIOPOLYMER- DEGRADING GENES AND ENZYMES FROM ALICYCLOBACILLUS ACIDOCALDARIUS AND RELATED ORGANISMS, METHODS Battelle Energy Alliance, LLC (US) 2010-10-06 EP disclosed
US-20090203107-A1 Thermophilic and thermoacidophilic biopolymer-degrading genes and enzymes from alicyclobacillus acidocaldarius and related organisms, methods BATTELLE ENERGY ALLIANCE, LLC (US) 2009-08-13 US disclosed
WO-2009099858-A1 THERMOPHILIC AND THERMOACIDOPHILIC BIOPOLYMER- DEGRADING GENES AND ENZYMES FROM ALICYCLOBACILLUS ACIDOCALDARIUS AND RELATED ORGANISMS, METHODS BATTELLE ENERGY ALLIANCE, LLC (US) 2009-08-13 WO disclosed