SCHEMBL29934951

SCHEMBL29934951

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)CCC[C@@]45C[C@@]35CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 8/20 0.59
▸ CDC25B P30305 8/20 0.59
▸ ACLY P53396 2/20 0.51
▸ ACACA Q13085 2/20 0.51
▸ EBP Q15125 8/20 0.48
▸ PTPN11 Q06124 1/20 0.41
▸ HSD11B1 P28845 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
SCHEMBL300737 0.87 ACLY (0.48) CDC25ACDC25BACLYACACAEBP
SCHEMBL1050397 0.87 ACLY (0.48) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL13324286 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL1881613 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL30299478 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL13801860 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL1881616 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL455050 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL12152356 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP
Cycloartanol SCHEMBL455049 0.81 ACLY (0.67) CDC25ACDC25BACLYACACAEBP

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-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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