SCHEMBL6690597

SCHEMBL6690597

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 5/20 0.48
CDC25B P30305 2/20 0.48
USP2 O75604 1/20 0.43
VDR P11473 1/20 0.43
DHCR24 Q15392 4/20 0.41
PTPN1 P18031 1/20 0.40
NR1H4 Q96RI1 4/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
EFNA1 P20827 1/20 0.38
EPHA2 P29317 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL8502677 1.00 CDC25A (0.48) CDC25ACDC25BUSP2VDRDHCR24
SCHEMBL13853984 0.87 CDC25A (0.50) CDC25ACDC25BUSP2VDRDHCR24
SCHEMBL6830893 0.87 CDC25A (0.50) CDC25ACDC25BUSP2VDRDHCR24
SCHEMBL4180944 0.87 CDC25A (0.50) CDC25ACDC25BUSP2VDRDHCR24
SCHEMBL13392661 0.87 CDC25A (0.50) CDC25ACDC25BUSP2VDRDHCR24
SCHEMBL16587978 0.85 CDC25A (0.44) CDC25ACDC25BUSP2VDRNR1H4
SCHEMBL2609727 0.85 CDC25A (0.59) CDC25ACDC25BNR1H4GPBAR1AKR1B10
SCHEMBL9883783 0.85 CDC25A (0.44) CDC25ACDC25BUSP2VDRNR1H4
SCHEMBL9010567 0.85 CDC25A (0.59) CDC25ACDC25BNR1H4GPBAR1AKR1B10
SCHEMBL9883785 0.85 CDC25A (0.59) CDC25ACDC25BNR1H4GPBAR1AKR1B10

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
EP-1464640-A2 20-Epi-16-ene-25-OH-D3-analogs F. HOFFMANN-LA ROCHE AG (CH) 2004-10-06 EP disclosed
EP-0808833-B1 Vitamin D3 analogs HOFFMANN LA ROCHE (CH) 2004-09-22 EP disclosed
US-6452028-B1 20-EPI-16-ENE ANALOGS FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS, SKIN DISEASES AND SEBACEOUS GLAND DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
EP-0808833-A2 Vitamin D3 analogs F. HOFFMANN-LA ROCHE AG (CH) 1997-11-26 EP disclosed