SCHEMBL7947510

SCHEMBL7947510

O=C(/C=C/c1ccc(CNC(=O)OCCC23CCCC4CC(CC4C2)C3)cc1)NO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.52
HDAC1 Q13547 15/20 0.52
HDAC6 Q9UBN7 14/20 0.52
HDAC2 Q92769 12/20 0.52
HDAC8 Q9BY41 13/20 0.45
HDAC5 Q9UQL6 12/20 0.45
HDAC4 P56524 9/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC7 Q8WUI4 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7943279 0.87 HDAC3 (0.64) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2405648 0.77 MEN1 (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL22332695 0.75 HDAC1 (0.89) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2407868 0.71 HDAC3 (0.71) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2403209 0.71 HDAC3 (0.71) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404865 0.70 HDAC3 (0.68) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404858 0.70 HDAC3 (0.68) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404272 0.69 HDAC3 (0.64) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404278 0.69 HDAC3 (0.64) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL2404193 0.69 HDAC1 (0.78) HDAC3HDAC1HDAC6HDAC2HDAC8

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-2010043953-A2 NOVEL BRIDGED CYCLIC COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-04-22 WO disclosed