SCHEMBL16149142

SCHEMBL16149142

CCCCCOC1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.47
▸ LGALS8 O00214 1/20 0.45
▸ LGALS3 P17931 1/20 0.45
▸ LGALS4 P56470 1/20 0.45
▸ GJB2 P29033 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ GBA1 P04062 1/20 0.41

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
SCHEMBL6552389 0.92 GJB2 (0.46) SLC6A2LGALS8GJB2MAPK1SSTR1
SCHEMBL6552394 0.92 GJB2 (0.46) SLC6A2LGALS8GJB2MAPK1SSTR1
SCHEMBL9800982 0.88 SLC6A2 (0.52) SLC6A2LGALS8LGALS3MAPK1SSTR1
SCHEMBL7195901 0.87 SLC6A2 (0.51) SLC6A2LGALS8GJB2
SCHEMBL7596317 0.87 SLC6A2 (0.51) SLC6A2LGALS8GJB2
SCHEMBL5828864 0.87 SLC6A2 (0.51) SLC6A2LGALS8GJB2
SCHEMBL5828861 0.87 SLC6A2 (0.51) SLC6A2LGALS8GJB2
SCHEMBL7596323 0.87 SLC6A2 (0.51) SLC6A2LGALS8GJB2
SCHEMBL26273937 0.84 SSTR1 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7069950 0.83 LGALS8 (0.57) SLC6A2LGALS8LGALS3SSTR1SSTR2

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-2981270-A2 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY Board of Regents, The University of Texas System (US) 2016-02-10 — — EP disclosed
WO-2014165736-A2 ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-09 — — WO disclosed
Send feedback