Octanedioate

Octanedioate

SCHEMBL2356845

O=C(O)CCCCCCC(=O)NO.O=C(O)CCCCCCC(=O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.79
HDAC8 Q9BY41 8/20 0.79
HDAC2 Q92769 4/20 0.79
HDAC6 Q9UBN7 4/20 0.79
HDAC3 O15379 3/20 0.79
HDAC5 Q9UQL6 3/20 0.79
FOLH1 Q04609 3/20 0.67
KDM4E B2RXH2 2/20 0.67
KDM6B O15054 1/20 0.67
KDM5C P41229 1/20 0.67
EGLN1 Q9GZT9 1/20 0.67
PHF8 Q9UPP1 1/20 0.67
KDM2A Q9Y2K7 1/20 0.67
LMNA P02545 2/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
HSP90AA1 P07900 1/20 0.62
HDAC11 Q96DB2 3/20 0.55
HDAC10 Q969S8 2/20 0.55

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
SCHEMBL4539424 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4521972 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL2315796 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4538971 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4529794 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4539034 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4525556 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4539077 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4536829 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL4528565 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC2HDAC6HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349985-A2 PROCESS FOR THE PREPARATION OF VORINOSTAT Generics [UK] Limited (GB) 2011-08-03 EP disclosed
WO-2010043904-A2 IMPROVED PROCESS GENERICS [UK] LIMITED (GB) 2010-04-22 WO disclosed