SCHEMBL2990364

SCHEMBL2990364

CC(C)OC(=O)OCC(COC(=O)OC(C)C)OC1(Cn2cnc3c(O)nc(N)nc32)CC1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.35
PDE3A Q14432 1/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ADRA1A P35348 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CYP2C19 P33261 1/20 0.32
STING1 Q86WV6 2/20 0.31
SLC29A1 Q99808 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4274826 0.91 FAP (0.36) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL2990362 0.88 FAP (0.34) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL2942828 0.87 FAP (0.35) FAPPDE3ACCNE1CDK2KDM4E
SCHEMBL2943210 0.86 KDM4E (0.47) FAPKDM4EALDH1A1HPGDADRA1A
SCHEMBL2905785 0.84 FAP (0.35) FAP
SCHEMBL4270182 0.80 FAP (0.37) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL2943375 0.79 CCNE1 (0.40) CCNE1CDK2HSP90AA1HSP90AB1CDK1
SCHEMBL4267905 0.78 FAP (0.36) FAPCCNE1CDK2KDM4EALDH1A1
SCHEMBL2943371 0.78 CCNE1 (0.39) CCNE1CDK2HSP90AA1HSP90AB1CDK1
SCHEMBL4263493 0.77 KDM4E (0.44) FAPKDM4EALDH1A1HPGDADRA1A

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