SCHEMBL6512267

SCHEMBL6512267

OC[C@H]1O[C@@H](O)[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@H]1O.OC[C@H]1O[C@](O)(c2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.32
SLC5A1 P13866 1/20 0.32
CD209 Q9NNX6 1/20 0.32
PYGL P06737 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
SLC28A3 Q9HAS3 1/20 0.30

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
SCHEMBL4527034 0.87 CD209 (0.38) SLC5A2SLC5A1CD209PYGLMEN1
SCHEMBL4511976 0.85 PYGL (0.37) PYGL
SCHEMBL4511983 0.85 PYGL (0.37) PYGL
SCHEMBL9185613 0.74 SLC28A3 (0.50) SLC5A2SLC5A1CD209MEN1KMT2A
SCHEMBL13868797 0.73 ATM (0.52) SLC5A2SLC5A1CD209MEN1KMT2A
SCHEMBL4511980 0.73 ATM (0.52) SLC5A2SLC5A1CD209MEN1KMT2A
SCHEMBL15202628 0.73 ATM (0.52) SLC5A2SLC5A1CD209MEN1KMT2A
SCHEMBL4513194 0.73 ATM (0.52) SLC5A2SLC5A1CD209MEN1KMT2A
SCHEMBL1378655 0.72 CD209 (0.54) SLC5A2CD209PYGLATMSLC28A3
SCHEMBL22125691 0.72 CD209 (0.54) SLC5A2CD209PYGLATMSLC28A3

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-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
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