SCHEMBL724438

SCHEMBL724438

O=C(C=Cc1ccc(CN2CCN(C(=O)O)CC2)cc1)NO

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.65
HDAC3 O15379 7/20 0.65
HDAC4 P56524 7/20 0.65
HDAC7 Q8WUI4 7/20 0.65
HDAC2 Q92769 7/20 0.65
HDAC10 Q969S8 7/20 0.65
HDAC11 Q96DB2 7/20 0.65
HDAC8 Q9BY41 7/20 0.65
HDAC6 Q9UBN7 7/20 0.65
HDAC9 Q9UKV0 7/20 0.65
HDAC5 Q9UQL6 7/20 0.65
GPR183 P32249 8/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNH2 Q12809 1/20 0.56
FAAH O00519 1/20 0.55
RAB9A P51151 1/20 0.52

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
SCHEMBL724056 0.89 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1486886 0.89 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12152498 0.86 LMNA (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1486851 0.86 KDM4E (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL726203 0.86 KDM4E (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL723772 0.86 HDAC1 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL723773 0.86 HDAC1 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL724839 0.86 HDAC1 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1486984 0.86 HDAC1 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8241471 0.85 HDAC6 (0.86) HDAC1HDAC3HDAC4HDAC7HDAC2

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-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO claimed