SCHEMBL4527040

SCHEMBL4527040

OC[C@H]1O[C@H](O)[C@@](O)(c2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 6/20 0.34
PYGL P06737 2/20 0.33
CD209 Q9NNX6 1/20 0.33
LGALS9 O00182 1/20 0.32
LGALS8 O00214 1/20 0.32
LGALS1 P09382 1/20 0.32
LGALS3 P17931 1/20 0.32
LGALS7; LGALS7B P47929 1/20 0.32
GBA1 P04062 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1378660 0.82 PYGL (0.43) SLC5A2PYGLCD209LGALS9LGALS8
SCHEMBL27531539 0.82 PYGL (0.43) SLC5A2PYGLCD209LGALS9LGALS8
SCHEMBL22125692 0.82 PYGL (0.43) SLC5A2PYGLCD209LGALS9LGALS8
SCHEMBL27931661 0.82 PYGL (0.43) SLC5A2PYGLCD209LGALS9LGALS8
SCHEMBL219632 0.82 PYGL (0.43) SLC5A2PYGLCD209LGALS9LGALS8
SCHEMBL29050759 0.82 PYGL (0.43) SLC5A2PYGLCD209LGALS9LGALS8
Water SCHEMBL8679667 0.81 PYGL (0.42) SLC5A2PYGLCD209LGALS9LGALS8
SCHEMBL4518617 0.79 SLC5A2 (0.38) SLC5A2PYGLCD209
SCHEMBL6844267 0.79 KDM4E (0.36) SLC5A2PYGLALDH1A1
SCHEMBL4511983 0.76 PYGL (0.37) PYGLGBA1UGCGGBA2ALDH1A1

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-20140295403-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-10-02 US disclosed
US-8632966-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-01-21 US disclosed
US-20130217041-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-08-22 US disclosed
US-8377686-B2 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2013-02-19 US disclosed
US-20090117600-A1 Detection of biological molecules by differential partitioning of enzyme substrates and products QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-05-07 US disclosed
US-7402426-B2 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-07-22 US disclosed
EP-1539986-B1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS UNIV KINGSTON (CA) 2007-07-18 EP disclosed
US-20040106164-A1 Analyzing microorganism associated with an enzyme in a sample water, food, soil, or a biological sample, enzyme-linked immunosorbent assay, automatic detect fluorescence with optical fiber, separate with polydimethylsiloxane films; diagnostic kits QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-06-03 US disclosed