SCHEMBL29240455

SCHEMBL29240455

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ CPB2 Q96IY4 8/20 0.35
▸ RNPEP Q9H4A4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ CA1 P00915 3/20 0.34

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
SCHEMBL30259669 1.00 FOLH1 (0.40) FOLH1CA2CA9CA12SLC6A5
SCHEMBL28448523 0.84 CA12 (0.44) FOLH1CA2CA9CA12CA1
SCHEMBL28448246 0.84 CA12 (0.44) FOLH1CA2CA9CA12CA1
SCHEMBL28444663 0.84 CA12 (0.44) FOLH1CA2CA9CA12CA1
SCHEMBL734876 0.84 CA12 (0.44) FOLH1CA2CA9CA12CA1
SCHEMBL9346601 0.82 CA12 (0.42) FOLH1CA2CA9CA12CA1
SCHEMBL28984898 0.82 FOLH1 (0.41) FOLH1CA2CA9CA12
SCHEMBL8039420 0.80 CA2 (0.42) CA2CA9CA12SMN1; SMN2CA1
SCHEMBL19996166 0.80 CA2 (0.42) CA2CA9CA12SMN1; SMN2CA1
SCHEMBL29690577 0.77 FOLH1 (0.41) FOLH1CA2SLC6A5GSRCPB2

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
CN-118714936-A Methods and uses of microbial compositions, components or metabolites for the treatment of vagal nerve related diseases, disorders and conditions 奇迹生物公司 2024-09-27 — — CN disclosed
CN-118265532-A Methods and uses of microbiome compositions, components or metabolites for treating neurodegenerative diseases 奇迹生物公司 2024-06-28 — — CN disclosed
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