SCHEMBL7008414

SCHEMBL7008414

NC(=O)C(O)=Cc1ccc(CNCCc2coc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.66
HDAC3 O15379 6/20 0.66
HDAC4 P56524 6/20 0.66
HDAC2 Q92769 6/20 0.66
HDAC8 Q9BY41 6/20 0.66
HDAC7 Q8WUI4 5/20 0.66
HDAC6 Q9UBN7 5/20 0.66
HDAC9 Q9UKV0 5/20 0.66
HDAC5 Q9UQL6 5/20 0.66
HDAC10 Q969S8 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
KCNH2 Q12809 2/20 0.41
CDK2 P24941 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL7008411 0.81 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL310002 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL310001 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL5683659 0.79 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL7094537 0.79 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL12487265 0.73 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL164803 0.73 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL3261129 0.73 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL31369764 0.72 HDAC3 (0.54) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL23055056 0.69 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC2HDAC8

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-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 EP claimed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 WO claimed