SCHEMBL8046738

SCHEMBL8046738

CC(C)(C)OC(=O)NN(C=O)CCCCCC/C=C/c1ccc2c(c1)/C(=N/O)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
AURKA O14965 4/20 0.33
KDR P35968 4/20 0.33
AURKB Q96GD4 4/20 0.33
PTPRC P08575 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
AKT1 P31749 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL8052434 1.00 HDAC1 (0.33) HDAC1HDAC8AURKAKDRAURKB
SCHEMBL8053515 0.85 MAPT (0.39) AURKAKDRAURKBPTPRCKDM4E
SCHEMBL8046733 0.85 MAPT (0.39) AURKAKDRAURKBPTPRCKDM4E
SCHEMBL8049234 0.85 MAPT (0.39) AURKAKDRAURKBPTPRCKDM4E
SCHEMBL8052585 0.85 MAPT (0.39) AURKAKDRAURKBPTPRCKDM4E
SCHEMBL8040104 0.83 KMT2A (0.43) AURKAKDRAURKBKDM4EL3MBTL1
SCHEMBL8052590 0.82 MAPT (0.39) AURKAKDRAURKBKDM4EAKT1
SCHEMBL8043998 0.82 MAPT (0.39) AURKAKDRAURKBKDM4EAKT1
SCHEMBL8044206 0.79 AURKA (0.37) HDAC1HDAC8AURKAKDRAURKB
SCHEMBL8045596 0.79 AURKA (0.37) HDAC1HDAC8AURKAKDRAURKB

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-2009085978-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARCEUTICALS, INC. (US) 2009-07-09 WO disclosed