SCHEMBL7145028

SCHEMBL7145028

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.40
CDC25B P30305 2/20 0.40
PPM1D O15297 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL7145023 1.00 CDC25A (0.40) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL7147375 0.94 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL7147377 0.94 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL7147372 0.94 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL8359283 0.86 CDC25A (0.38) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL8359281 0.86 CDC25A (0.38) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL8359286 0.86 CDC25A (0.38) CDC25ACDC25BPPM1DGPBAR1
SCHEMBL7144084 0.85 CDC25A (0.35) CDC25ACDC25BPPM1D
SCHEMBL8083668 0.85 CDC25A (0.39) CDC25ACDC25BPPM1D
SCHEMBL8098457 0.85 CDC25A (0.39) CDC25ACDC25BPPM1D

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-0998455-B1 DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONDS IN THE SIDE CHAIN HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-5994569-A USEFUL IN THE TREATMENT OR PREVENTION OF VITAMIN D DEPENDENT DISORDERS AND OF IL-12-DEPENDENT AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-11-30 US disclosed