SCHEMBL29533732

SCHEMBL29533732

CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ MAPK1 P28482 2/20 0.58
▸ LGALS3 P17931 2/20 0.54
▸ LGALS8 O00214 1/20 0.54
▸ LGALS4 P56470 1/20 0.54
▸ CHIA Q9BZP6 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 1/20 0.47

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
SCHEMBL30703112 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL29532484 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL29390581 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL30703110 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL29635537 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL3246528 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL9566107 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL14342381 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL13205049 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3
SCHEMBL9566051 1.00 CD69 (0.63) CD69ALDH1A1THRBMAPK1LGALS3

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
US-20230236193-A1 ENGINEERED PROBES FOR SIALOGLYCAN BINDING The United States as Represented by the Department of Veterans Affairs 2023-07-27 — — US disclosed
Send feedback