SCHEMBL7459111

SCHEMBL7459111

O=C(O)c1cccc(C(=O)O)c1C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 9/20 0.51
SLC5A1 P13866 2/20 0.47
PYGL P06737 1/20 0.46
MMP14 P50281 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PTPN1 P18031 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28783554 0.86 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL29602777 0.86 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL27850653 0.79 KDM4E (0.52) SLC5A2SLC5A1MMP14L3MBTL1KDM4E
SCHEMBL8973933 0.77 UMPS (0.43) SLC5A2PYGLL3MBTL1KDM4EALDH1A1
SCHEMBL22092162 0.77 UMPS (0.43) SLC5A2PYGLL3MBTL1KDM4EALDH1A1
SCHEMBL28708412 0.77 UMPS (0.43) SLC5A2PYGLL3MBTL1KDM4EALDH1A1
SCHEMBL7452919 0.76 PYGL (0.52) SLC5A2SLC5A1PYGLL3MBTL1KDM4E
SCHEMBL7452912 0.76 PYGL (0.52) SLC5A2SLC5A1PYGLL3MBTL1KDM4E
Phosphoric Acid SCHEMBL27486572 0.76 SLC5A2 (0.40) SLC5A2PYGLKDM4EALDH1A1SMN1; SMN2
SCHEMBL29447662 0.75 KDM4E (0.54) SLC5A2SLC5A1PYGLMMP14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232169-A1 GALLOTANNINS AND ELLAGITANNINS AS REGULATORS OF CYTOKINE RELEASE THE PENN STATE RESEARCH FOUNDATION (US) 2002-08-21 EP disclosed
WO-2001036436-A1 GALLOTANNINS AND ELLAGITANNINS AS REGULATORS OF CYTOKINE RELEASE THE PENN STATE RESEARCH FOUNDATION (US) 2001-05-25 WO disclosed