SCHEMBL5806364

SCHEMBL5806364

COC(=O)CCC1=CCN(CCCc2cccc(C)c2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.54
HDAC1 Q13547 14/20 0.54
HDAC2 Q92769 14/20 0.54
HDAC6 Q9UBN7 14/20 0.54
HDAC10 Q969S8 13/20 0.51
HDAC11 Q96DB2 13/20 0.51
HDAC8 Q9BY41 13/20 0.51
HDAC4 P56524 12/20 0.51
HDAC7 Q8WUI4 12/20 0.51
HDAC9 Q9UKV0 12/20 0.51
HDAC5 Q9UQL6 12/20 0.51
NAAA Q02083 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2568829 0.87 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2563973 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2569079 0.78 HDAC1 (0.70) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL13948868 0.76 NPC1 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL1107166 0.76 SIRT2 (0.52) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2564789 0.75 HDAC3 (0.82) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL13103811 0.74 HDAC6 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2568317 0.73 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2567973 0.73 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL2565221 0.73 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC10

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-1663201-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2006-06-07 EP disclosed
WO-2005004861-A1 A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-01-20 WO disclosed