SCHEMBL8992725

SCHEMBL8992725

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 3/20 0.36
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31

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
SCHEMBL9009472 1.00 PPM1D (0.36) PPM1DCDC25ACDC25B
SCHEMBL3302592 0.91 PPM1D (0.35) PPM1DCDC25ACDC25B
SCHEMBL13588131 0.91 PPM1D (0.35) PPM1DCDC25ACDC25B
SCHEMBL7105132 0.91 PPM1D (0.35) PPM1DCDC25ACDC25B
SCHEMBL13392744 0.91 PPM1D (0.35) PPM1DCDC25ACDC25B
SCHEMBL14005447 0.88 PPM1D (0.35) PPM1DCDC25ACDC25B
SCHEMBL13588136 0.86 PPM1D (0.32) PPM1D
SCHEMBL3259396 0.86 PPM1D (0.32) PPM1D
SCHEMBL13392742 0.86 PPM1D (0.32) PPM1D
SCHEMBL3302550 0.86 PPM1D (0.32) PPM1D

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
US-5585368-A SKIN DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
EP-0647219-B1 DERIVATIVES IN THE VITAMIN D SERIES MODIFIED AT THE 20 POSITION, A METHOD OF PREPARING SUCH DERIVATIVES, INTERMEDIATES USED IN THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THE DERIVATIVES AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AG (DE) 1996-07-31 EP disclosed