SCHEMBL9231776

SCHEMBL9231776

CCCCCCCCCCCCCCCCCCN[C@@H]1[C@@H](OC)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 12/20 0.54
▸ MAPK1 P28482 1/20 0.52
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ LGALS8 O00214 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL9231772 1.00 GBA1 (0.54) GBA1MAPK1CA2CA9CA1
SCHEMBL10881693 0.86 MAPK1 (0.66) GBA1MAPK1CA2CA9CA1
SCHEMBL10881696 0.86 MAPK1 (0.66) GBA1MAPK1CA2CA9CA1
SCHEMBL11029229 0.83 LGALS8 (0.45) GBA1MAPK1LGALS8
SCHEMBL11029228 0.83 LGALS8 (0.45) GBA1MAPK1LGALS8
SCHEMBL23787746 0.82 GBA1 (0.59) GBA1MAPK1
SCHEMBL10786697 0.82 GBA1 (0.59) GBA1MAPK1
SCHEMBL28491427 0.82 GBA1 (0.59) GBA1MAPK1
Hexane SCHEMBL28784867 0.82 GBA1 (0.59) GBA1MAPK1
SCHEMBL30731536 0.82 GBA1 (0.59) GBA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653434-A1 Glucosamine derivative, process for preparing the same and synthetic intermediate thereof TANABE SEIYAKU CO., LTD. (JP) 1995-05-17 — — EP disclosed
Send feedback