SCHEMBL13942634

SCHEMBL13942634

C=C(C)[C@@H]1CC[C@@](CC[C@]2(C)CCC[C@@H]3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@@H]4CC[C@]32C)(COC2CCCCO2)[C@H]1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 1/20 0.30

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
SCHEMBL13910945 0.79 CA9 (0.41) TOP2A
SCHEMBL5440871 0.79 CA9 (0.41) TOP2A
SCHEMBL14374379 0.75 HSD17B10 (0.36) —
SCHEMBL13910947 0.73 SLC10A1 (0.44) TOP2A
SCHEMBL14374329 0.71 CA9 (0.42) TOP2A
SCHEMBL5448119 0.71 CA9 (0.42) TOP2A
SCHEMBL5446514 0.70 TDP1 (0.42) —
SCHEMBL14374326 0.69 CA9 (0.41) TOP2A
SCHEMBL5454240 0.69 CA9 (0.41) TOP2A
SCHEMBL14399188 0.68 CA9 (0.40) TOP2A

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
WO-2009020732-A1 LUPANE-TYPE TRITERPENOIDS MODIFIED AT 30-POSITION AND ANALOGUES THEREOF ADVANCED LIFE SCIENCES, INC. (US) 2009-02-12 — — WO disclosed
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