SCHEMBL7936506

SCHEMBL7936506

CC(=O)/C=C/c1cc(CNC23CC4CCCC(C2)C(C4)C3)cn1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL2404373 0.79 HDAC6 (0.51) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2404370 0.79 HDAC6 (0.51) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2404311 0.78 HDAC6 (0.61) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2404315 0.78 HDAC6 (0.61) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2406196 0.77 HDAC6 (0.47) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2406201 0.72 HDAC6 (0.43) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2406199 0.72 HDAC6 (0.43) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2404723 0.70 HDAC1 (0.48) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2404726 0.70 HDAC1 (0.48) HDAC8HDAC6HDAC3HDAC1HDAC4
SCHEMBL2405764 0.64 HDAC6 (0.65) HDAC8HDAC6HDAC3HDAC1HDAC4

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