SCHEMBL7066293

SCHEMBL7066293

CC(=O)OCC(CCn1c(Cl)nc2cnc(N)nc21)COC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ ADRA1A P35348 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ HSP90AA1 P07900 4/20 0.34
▸ HSP90AB1 P08238 4/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TNF P01375 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
SCHEMBL3150498 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL8190642 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL29357294 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL2949 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL7103048 0.79 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL6471652 0.79 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL3932051 0.79 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL29098544 0.79 KDM4E (0.98) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL6471750 0.77 KDM4E (0.94) KDM4EALDH1A1HPGDADRA1AHSD17B10
Famciclovir SCHEMBL29110632 0.76 KDM4E (0.92) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004007418-A1 A PROCESS FOR THE PREPARATION OF 2-ACETOXYMETHYL-4 HALO-BUT-1-YL ACETATES RECORDATI S.A. (CH) 2004-01-22 — — WO disclosed
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