SCHEMBL9472768

SCHEMBL9472768

C=CCO[C@H]1[C@H](OCCCCCC(=O)OC)O[C@H](CO)[C@H](O)[C@@H]1OCC=C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ LGALS8 O00214 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ LGALS3 P17931 2/20 0.40
▸ LGALS4 P56470 2/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ SELP P16109 1/20 0.36
▸ IGF2R P11717 1/20 0.35
▸ SELE P16581 1/20 0.35

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
SCHEMBL9472782 1.00 SLC2A1 (0.46) SLC2A1MAPK1LGALS8ALDH1A1LMNA
SCHEMBL9473197 0.94 SLC2A1 (0.48) SLC2A1MAPK1LGALS8ALDH1A1LMNA
SCHEMBL9473190 0.94 SLC2A1 (0.48) SLC2A1MAPK1LGALS8ALDH1A1LMNA
SCHEMBL9472982 0.83 ALDH1A1 (0.39) SLC2A1MAPK1LGALS8ALDH1A1LMNA
SCHEMBL9472994 0.83 ALDH1A1 (0.39) SLC2A1MAPK1LGALS8ALDH1A1LMNA
SCHEMBL15316753 0.80 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GBA1
SCHEMBL8431196 0.80 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GBA1
SCHEMBL8429284 0.80 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GBA1
SCHEMBL9473638 0.80 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GBA1
SCHEMBL8429281 0.80 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4GBA1

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-5254676-A Oligosaccharide inhibitors for influenza virus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-19 — — US disclosed
US-5220008-A Oligosaccharide inhibitors for influenza virus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-15 — — US disclosed
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