SCHEMBL9183478

SCHEMBL9183478

CC(=O)OCC(COC(C)=O)COn1cnc2cnc(N)nc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33

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
SCHEMBL9184427 0.88 KDM4E (0.53) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9184560 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9182449 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9186857 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7750980 0.82 KDM4E (0.79) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL29357294 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL2949 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL8190642 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9184386 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL7103048 0.79 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242482-B1 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1995-09-06 — — EP claimed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 — — US claimed
EP-0313289-A2 Process for the preparation of purine compounds and intermediates therefor BEECHAM GROUP PLC (GB) 1989-04-26 — — EP claimed
EP-0298601-A1 6-Deoxy guanine derivatives and pyrimidine intermediates BEECHAM GROUP PLC (GB) 1989-01-11 — — EP claimed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 — — EP claimed
EP-0242482-B1 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1995-09-06 — — EP disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 — — US disclosed
EP-0242482-A2 Antiviral purine derivatives and process for their preparation BEECHAM GROUP PLC (GB) 1987-10-28 — — EP disclosed
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