SCHEMBL19605034

SCHEMBL19605034

CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2NC(C)=O)C(CO)O[C@H]1OCCS

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 7/20 0.76
▸ LGALS8 O00214 2/20 0.76
▸ LGALS4 P56470 2/20 0.76
▸ MAPK1 P28482 1/20 0.61
▸ CD69 Q07108 1/20 0.55
▸ CHIA Q9BZP6 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LGALS1 P09382 1/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46
▸ LGALS9 O00182 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16129525 1.00 LGALS3 (0.76) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL25626439 1.00 LGALS3 (0.76) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL20096756 1.00 LGALS3 (0.76) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL23425804 0.92 LGALS3 (0.66) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL16887725 0.92 MAPK1 (0.71) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL888110 0.92 MAPK1 (0.71) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL10298053 0.92 MAPK1 (0.71) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL15354501 0.92 MAPK1 (0.71) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL10298024 0.92 MAPK1 (0.71) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL17988585 0.92 MAPK1 (0.71) LGALS3LGALS8LGALS4MAPK1CD69

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-3851109-A1 THIOSACCHARIDE MUCOLYTIC AGENTS The Regents of the University of California (US) 2021-07-21 — — EP disclosed
WO-2017197360-A1 AIRWAY MUCUS IMPACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-16 — — WO disclosed
Send feedback