SCHEMBL12477665

SCHEMBL12477665

OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COCCF)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 2/20 0.49
LGALS8 O00214 1/20 0.49
LGALS4 P56470 1/20 0.49
AMY2A P04746 4/20 0.43
ENGASE Q8NFI3 1/20 0.42
IGF2R P11717 2/20 0.42
CD209 Q9NNX6 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AMY1A P0DUB6 1/20 0.41
GJA1 P17302 1/20 0.40
GJB2 P29033 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL17688995 0.92 LGALS3 (0.51) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL2329201 0.92 LGALS3 (0.51) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL8491597 0.90 LGALS3 (0.52) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL446474 0.89 LGALS8 (0.48) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL12478426 0.87 LGALS3 (0.49) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL2331559 0.86 LGALS8 (0.50) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL4990033 0.85 LGALS8 (0.50) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL8439367 0.85 LGALS8 (0.50) LGALS3LGALS8LGALS4AMY2AENGASE
SCHEMBL8970600 0.84 LGALS8 (0.48) LGALS3LGALS8LGALS4AMY2AENGASE
Cellobiose SCHEMBL28218156 0.83 LGALS8 (0.58) LGALS3LGALS8LGALS4AMY2AIGF2R

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-2012116196-A2 SUBSTITUTED LACTOSYL COMPOUNDS AND USE THEREOF FOR CELLULAR IMAGING AND THERAPY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-30 WO disclosed