SCHEMBL12510719

SCHEMBL12510719

CC1(C)O[C@@H]2CC3(C)CC(OC3=O)[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 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
SCHEMBL14232901 1.00 MGAM (0.39) MGAMCA1CA2GAASI
SCHEMBL14403895 1.00 MGAM (0.39) MGAMCA1CA2GAASI
SCHEMBL16602936 0.82 MGAM (0.40) MGAMCA1CA2GAASI
SCHEMBL10063791 0.82 MGAM (0.40) MGAMCA1CA2GAASI
SCHEMBL10100000 0.82 MGAM (0.40) MGAMCA1CA2GAASI
SCHEMBL13825709 0.82 MGAM (0.40) MGAMCA1CA2GAASI
SCHEMBL7200660 0.82 MGAM (0.40) MGAMCA1CA2GAASI
SCHEMBL10099916 0.82 CA2 (0.33) CA2
SCHEMBL14232677 0.82 CA2 (0.33) CA2
SCHEMBL10063783 0.75 MGAM (0.35) MGAMCA1CA2GAASI

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-7982060-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-19 — — US disclosed
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