SCHEMBL27630417

SCHEMBL27630417

CC(=O)OCC(CC(C)n1cnc2c(Cl)cc(N)nc21)OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ AR P10275 1/20 0.33
▸ PDE8A O60658 3/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ CDK1 P06493 3/20 0.30
▸ CCNB1 P14635 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ CCNE1 P24864 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
SCHEMBL27725381 0.85 HSP90AA1 (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6705449 0.85 KDM4E (0.33) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27630360 0.77 CDK5 (0.33) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6151952 0.74 KDM4E (0.59) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3508649 0.72 CDK2 (0.55) KDM4EALDH1A1HPGDADORA2AADORA2B
SCHEMBL24790521 0.71 CDK1 (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10922755 0.66 HSP90AB1 (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7197769 0.65 PDE3A (0.48) ALDH1A1HSD17B10PDE3AMAPK1
SCHEMBL6365879 0.64 HSP90AB1 (0.43) CDK1CCNB1CDK2CCNE1PRKACA
SCHEMBL23710644 0.62 PDE3A (0.56) ALDH1A1PDE3A

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
CN-1812990-A Process for the preparation of famciclovir TEVA PHARMA (IL) 2006-08-02 — — CN claimed
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