SCHEMBL4511952

SCHEMBL4511952

O=C[C@H](Oc1cccc2cc3ccccc3cc12)[C@@H](O)[C@H](O)[C@H](O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.36
PPARA Q07869 9/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CASP1 P29466 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12500584 0.88 KDM4E (0.42) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL8526433 0.81 PPARG (0.38) PPARGPPARAGAAHPGDHSD17B10
SCHEMBL4905650 0.75 KDM4E (0.38) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL4013345 0.72 KDM4E (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10399945 0.72 SMN1; SMN2 (0.45) KDM4EMEN1KMT2AHIF1AMAPT
SCHEMBL2786997 0.68 KMT2A (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL1871593 0.67 TSHR (0.54) ALDH1A1HPGDHSD17B10CYP1A2CYP2C19
SCHEMBL8075767 0.67 ALDH1A1 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL21195781 0.66 SLC1A1 (0.49) PPARGPPARAKDM4EALDH1A1CYP1A2
SCHEMBL5822045 0.65 LMNA (0.35) PPARGPPARAALDH1A1TDP1MAPT

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 10 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
EP-1539986-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS Queen's University at Kingston (CA) 2005-06-15 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
WO-2004027084-A1 DETECTION OF BIOLOGICAL MOLECULES BY DIFFERENTIAL PARTITIONING OF ENZYME SUBSTRATES AND PRODUCTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-04-01 WO disclosed