SCHEMBL14413976

SCHEMBL14413976

CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS4 P56470 1/20 0.35
GSTA2 P09210 2/20 0.34
GSTP1 P09211 2/20 0.34
GSTM1 P09488 1/20 0.34
CETP P11597 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GJB2 P29033 1/20 0.32
IGF2R P11717 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
SCHEMBL14413975 1.00 MAPK1 (0.44) MAPK1LGALS8LGALS3LGALS4GSTA2
SCHEMBL14413973 0.90 MAPK1 (0.41) MAPK1LGALS8LGALS3LGALS4GSTA2
SCHEMBL14437358 0.90 MAPK1 (0.41) MAPK1LGALS8LGALS3LGALS4GSTA2
SCHEMBL5028332 0.76 SLC6A2 (0.44) LGALS8GSTA2GSTP1GSTM1
SCHEMBL5032427 0.76 SLC6A2 (0.44) LGALS8GSTA2GSTP1GSTM1
SCHEMBL7882496 0.76 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL7044129 0.76 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL15353513 0.76 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL14690954 0.76 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP
SCHEMBL14691219 0.76 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CETP

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
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 US disclosed
WO-2007098597-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-09-07 WO disclosed