SCHEMBL2990362

SCHEMBL2990362

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.34
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CYP2C19 P33261 1/20 0.31
STING1 Q86WV6 2/20 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
SCHEMBL2990364 0.88 FAP (0.35) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL2943206 0.87 KDM4E (0.43) FAPHSP90AA1HSP90AB1
SCHEMBL2942826 0.86 FAP (0.35) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL2940661 0.85 FAP (0.34) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL4274826 0.84 FAP (0.36) FAPCCNE1CDK2HSP90AA1HSP90AB1
SCHEMBL2936424 0.83 HK1 (0.34) HSP90AA1HSP90AB1CYP2C19
SCHEMBL2905785 0.82 FAP (0.35) FAP
SCHEMBL2943375 0.78 CCNE1 (0.40) CCNE1CDK2HSP90AA1HSP90AB1CDK1
SCHEMBL2943371 0.77 CCNE1 (0.39) CCNE1CDK2HSP90AA1HSP90AB1CDK1
SCHEMBL2942828 0.76 FAP (0.35) FAPCCNE1CDK2HSP90AA1HSP90AB1

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