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SCHEMBL30005208

SCHEMBL30005208

CC(=O)OCC1O[C@@H]([Se][C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 10/20 0.55
▸ CA2 P00918 10/20 0.55
▸ CA9 Q16790 10/20 0.55
▸ CA12 O43570 7/20 0.55
▸ CA14 Q9ULX7 7/20 0.55
▸ LGALS3 P17931 10/20 0.49
▸ LGALS1 P09382 5/20 0.49
▸ LGALS8 O00214 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
SCHEMBL26089310 1.00 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL176226 0.89 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL21756520 0.89 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL29842204 0.89 CA1 (0.56) CA1CA2CA9CA12CA14
SCHEMBL22004612 0.89 CA1 (0.58) CA1CA2CA9CA12CA14
Hydrochloric Acid SCHEMBL28383444 0.88 CA1 (0.57) CA1CA2CA9CA12CA14
Acetic Acid SCHEMBL28441981 0.88 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL26430193 0.88 LGALS3 (0.61) CA1CA2CA9CA12CA14
SCHEMBL23235342 0.87 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL29673981 0.87 CA1 (0.54) CA1CA2CA9CA12CA14

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
CN-109071585-B Seleno galactoside compound for preventing and treating galectin related diseases and application thereof 卡莱克汀科学有限责任公司 2022-08-16 — — CN disclosed