SCHEMBL8107009

SCHEMBL8107009

CC(C)(C)O[C@H]1CCC[C@H]2[C@@H](O)CCC[C@]12C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.38
▸ CDC25B P30305 1/20 0.38

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
SCHEMBL7145450 1.00 CDC25A (0.38) CDC25ACDC25B
SCHEMBL27461585 1.00 CDC25A (0.38) CDC25ACDC25B
SCHEMBL8229897 1.00 CDC25A (0.38) CDC25ACDC25B
SCHEMBL27501643 0.77 — —
SCHEMBL7151331 0.77 CHRM2 (0.33) —
SCHEMBL13317672 0.72 CDC25A (0.42) CDC25ACDC25B
SCHEMBL8103202 0.70 NR1I3 (0.40) —
SCHEMBL13298441 0.67 CDC25A (0.40) CDC25ACDC25B
SCHEMBL27462429 0.67 CDC25A (0.39) CDC25ACDC25B
SCHEMBL7144061 0.66 CYP19A1 (0.42) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153605-A Arylsecocholadiene derivatives HOFFMAN-LA ROCHE INC. (US) 2000-11-28 — — US disclosed
EP-0771789-B1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 HOFFMANN LA ROCHE (CH) 2000-02-16 — — EP disclosed
US-5905074-A SKIN DISORDERS, ANTITUMOR AGENTS, VITAMIN D DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1999-05-18 — — US disclosed
EP-0771789-A1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 F. HOFFMANN-LA ROCHE AG (CH) 1997-05-07 — — EP disclosed
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