SCHEMBL14413981

SCHEMBL14413981

CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OCCCC)[C@H]1OCCCC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ GBA1 P04062 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ SLC2A1 P11166 1/20 0.44
▸ LGALS8 O00214 2/20 0.44
▸ LGALS3 P17931 1/20 0.44
▸ LGALS4 P56470 1/20 0.44
▸ GJB2 P29033 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL14747620 0.95 MAPK1 (0.52) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL28276208 0.91 MAPK1 (0.56) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL28274960 0.91 MAPK1 (0.56) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL21080958 0.91 MAPK1 (0.44) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL16421742 0.91 TNF (0.56) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL17304977 0.91 TNF (0.56) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL13885908 0.91 TNF (0.56) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL15499729 0.91 TNF (0.56) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL5678760 0.90 MAPK1 (0.58) MAPK1GBA1TNFSLC2A1LGALS8
SCHEMBL25415166 0.89 MAPK1 (0.60) MAPK1GBA1TNFSLC2A1LGALS8

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
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