SCHEMBL28984898

SCHEMBL28984898

C[C@@H]1OC(NC(CCC(=O)O)C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.41
▸ RIMKLA Q8IXN7 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ CA9 Q16790 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ GGH Q92820 1/20 0.40
▸ SELP P16109 7/20 0.39
▸ SELL P14151 6/20 0.39

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
SCHEMBL19996166 0.83 CA2 (0.42) CA9CA12CA2
SCHEMBL8039420 0.83 CA2 (0.42) CA9CA12CA2
SCHEMBL28732847 0.82 PYGB (0.48) CA9CA12CA2SELP
SCHEMBL30259669 0.82 FOLH1 (0.40) FOLH1CA9CA12CA2
SCHEMBL29240455 0.82 FOLH1 (0.40) FOLH1CA9CA12CA2
SCHEMBL31206883 0.81 PYGB (0.46) FOLH1RIMKLANAALAD2CA9CA12
SCHEMBL31047737 0.72 FOLH1 (0.42) FOLH1RIMKLANAALAD2CA2GGH
SCHEMBL3801496 0.66 PYGB (0.51) CA9CA12CA2
SCHEMBL20476841 0.66 PYGB (0.51) CA9CA12CA2
SCHEMBL28419458 0.66 PYGB (0.51) CA9CA12CA2

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-110662842-B Production method of 3-fucosyllactose using corynebacterium glutamicum 首尔大学校产学协力团 2023-03-21 — — CN disclosed
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