SCHEMBL2942828

SCHEMBL2942828

CC(C)OC(=O)OCC(COC(=O)OC(C)C)OC1(Cn2cnc3c(O)nc(N)nc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.35
PDE3A Q14432 1/20 0.34
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
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
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
CDK1 P06493 4/20 0.33
CCNB1 P14635 4/20 0.33
CYP2C19 P33261 1/20 0.32
SLC29A1 Q99808 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 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
SCHEMBL4270182 0.90 FAP (0.37) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL2990364 0.87 FAP (0.35) FAPPDE3ACCNE1CDK2KDM4E
SCHEMBL2942826 0.86 FAP (0.35) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL3292459 0.82 FAP (0.36) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL5943180 0.82 FAP (0.33) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL4267905 0.80 FAP (0.36) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL4274826 0.80 FAP (0.36) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL4273076 0.79 HPRT1 (0.31) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2999182 0.78 CCNE1 (0.36) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL4266050 0.77 CYP2C19 (0.33) CCNE1CDK2CDK1CCNB1CYP2C19

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
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed