SCHEMBL15028630

SCHEMBL15028630

CCCCO[C@H]1OC(CO)[C@@H](O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)C1NCl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
LGALS8 O00214 3/20 0.53
LGALS3 P17931 3/20 0.53
LGALS4 P56470 3/20 0.53
GJB2 P29033 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IGF2R P11717 2/20 0.42
CD209 Q9NNX6 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 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
SCHEMBL15028533 1.00 MAPK1 (0.53) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL20411316 0.86 LGALS8 (0.61) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL15028632 0.85 MAPK1 (0.71) MAPK1LGALS8LGALS3LGALS4MEN1
SCHEMBL16156439 0.84 MAPK1 (0.55) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL15028535 0.83 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL15028493 0.83 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL18947588 0.83 LGALS3 (0.72) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL21813016 0.83 LGALS3 (0.72) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL8773131 0.83 LGALS3 (0.72) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL17987617 0.83 LGALS3 (0.72) MAPK1LGALS8LGALS3LGALS4GJB2

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
WO-2013083136-A1 PREPARATION AND USE OF ISOLACTOSAMINE AND INTERMEDIATES THEREFOR GLYCOM A/S (DK) 2013-06-13 WO disclosed