SCHEMBL7777811

SCHEMBL7777811

C[C@H](CCO)[C@H]1CCC2C(=CBr)CCC[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.58
CDC25B P30305 1/20 0.58
VDR P11473 6/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
HSPD1 P10809 1/20 0.48
HPGD P15428 1/20 0.48
TBXA2R P21731 1/20 0.48
PTGS1 P23219 1/20 0.48
GLRA1 P23415 1/20 0.48
DRD3 P35462 1/20 0.48
HSPE1 P61604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7777809 1.00 CDC25A (0.58) CDC25ACDC25BVDRMEN1KMT2A
SCHEMBL7777813 1.00 CDC25A (0.58) CDC25ACDC25BVDRMEN1KMT2A
SCHEMBL25313329 0.90 CDC25A (0.54) CDC25ACDC25BVDRMEN1KMT2A
SCHEMBL25313334 0.90 CDC25A (0.54) CDC25ACDC25BVDRMEN1KMT2A
SCHEMBL6720175 0.85 VDR (0.62) CDC25ACDC25BVDRMAPTPGR
SCHEMBL6736404 0.84 VDR (0.70) CDC25ACDC25BVDRMAPTPGR
SCHEMBL24571965 0.84 VDR (0.70) CDC25ACDC25BVDRMAPTPGR
SCHEMBL13849336 0.84 VDR (0.70) CDC25ACDC25BVDRMAPTPGR
SCHEMBL26324497 0.84 VDR (0.70) CDC25ACDC25BVDRMAPTPGR
SCHEMBL17888103 0.84 VDR (0.70) CDC25ACDC25BVDRMAPTPGR

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 6 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
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