SCHEMBL22149284

SCHEMBL22149284

CC1(C)OC2C(O1)[C@@H]1OC(C)(C)OCC1O[C@@H]2OC(=N)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL22149279 1.00 CA1 (0.33) CA1CA2CA9
SCHEMBL12712866 0.91 CA2 (0.38) CA1CA2CA9
SCHEMBL277481 0.91 CA2 (0.38) CA1CA2CA9
SCHEMBL321709 0.91 CA2 (0.38) CA1CA2CA9
SCHEMBL13053720 0.91 CA2 (0.38) CA1CA2CA9
SCHEMBL2802528 0.76 — —
SCHEMBL18457371 0.75 CA1 (0.40) CA1CA2CA9
SCHEMBL7149970 0.75 CA1 (0.40) CA1CA2CA9
SCHEMBL13053771 0.73 CA1 (0.34) CA1CA2CA9
SCHEMBL13954220 0.72 CA1 (0.32) CA1CA2CA9

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
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 — — EP disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 — — WO disclosed
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