SCHEMBL7764301

SCHEMBL7764301

C[C@H](C=CC=O)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.38
CDC25B P30305 2/20 0.38
BACE1 P56817 1/20 0.33
CYP17A1 P05093 1/20 0.30
GPBAR1 Q8TDU6 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
SCHEMBL7764308 1.00 CDC25A (0.38) CDC25ACDC25BBACE1CYP17A1GPBAR1
SCHEMBL7764298 1.00 CDC25A (0.38) CDC25ACDC25BBACE1CYP17A1GPBAR1
SCHEMBL7764768 0.87 CDC25A (0.40) CDC25ACDC25BBACE1CYP17A1GPBAR1
SCHEMBL7765817 0.87 CDC25A (0.40) CDC25ACDC25BBACE1CYP17A1GPBAR1
SCHEMBL7764787 0.82 CDC25A (0.39) CDC25ACDC25BBACE1
SCHEMBL7764782 0.82 CDC25A (0.39) CDC25ACDC25BBACE1
SCHEMBL7764785 0.82 CDC25A (0.39) CDC25ACDC25BBACE1
SCHEMBL7763270 0.81 CDC25A (0.38) CDC25ACDC25BBACE1GPBAR1
SCHEMBL7777928 0.78 CDC25A (0.50) CDC25ACDC25BGPBAR1
SCHEMBL7777927 0.78 CDC25A (0.50) CDC25ACDC25BGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854139-B1 Vitamin D3 derivative and production process thereof TEIJIN LTD (JP) 2001-09-05 EP disclosed
EP-0854138-B1 Vitamin D3 derivative and production process thereof TEIJIN LTD (JP) 2001-05-23 EP disclosed
US-6177586-B1 USEFUL AS A PHARMACEUTICAL SUCH AS AN AGENT FOR PROMOTING BONE FORMATION, AN AGENT FOR SUPPRESSING PROLIFERATION OF TUMOR CELLS, AN AGENT FOR HIGH CALCIUM BLOOD DISEASES, AND AN IMMUNOSUPPRESSION AGENT TEIJIN LIMITED (JP) 2001-01-23 US disclosed
US-5986112-A STEROID DERIVATIVES AS ANTITUMOR AGENTS AND BLOOD METAL CONCENTRATES TEIJIN LIMITED (JP) 1999-11-16 US disclosed
EP-0854139-A2 Vitamin D3 derivative and production process thereof TEIJIN LIMITED (JP) 1998-07-22 EP disclosed
EP-0854138-A2 Vitamin D3 derivative and production process thereof TEIJIN LIMITED (JP) 1998-07-22 EP disclosed
EP-0712843-A1 VITAMIN D3 DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-05-22 EP disclosed