SCHEMBL28463391

SCHEMBL28463391

O=C1CC(=O)OC(C2CC2)O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11772819 0.71 CA1 (0.36) CA1CA9SMN1; SMN2
SCHEMBL15763954 0.67 CA1 (0.33) CA1CA9SMN1; SMN2
SCHEMBL15763917 0.67 PRSS1 (0.34) CA1CA9SMN1; SMN2
SCHEMBL10438993 0.67 SMN1; SMN2 (0.38) CA1CA9SMN1; SMN2
SCHEMBL7463378 0.65 — —
SCHEMBL4438451 0.65 — —
SCHEMBL7568984 0.65 SMN1; SMN2 (0.48) CA1CA9SMN1; SMN2
SCHEMBL71329 0.65 — —
SCHEMBL6311412 0.64 MAPT (0.31) —
SCHEMBL15763919 0.63 CA1 (0.41) CA1CA9SMN1; SMN2

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-111705028-A Microorganisms and methods for making 4-hydroxybutyrate, 1, 4-butanediol, and related compounds 基因组股份公司 2020-09-25 — — CN disclosed
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