SCHEMBL8205833

SCHEMBL8205833

C=C(NO)c1ccc(N2CCC(CNCc3ccc(CN[C@H](C(=O)O)C4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
HDAC3 O15379 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ITGB3 P05106 5/20 0.39
ITGB1 P05556 2/20 0.39
ITGAV P06756 2/20 0.39
ITGA5 P08648 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL3772418 0.91 HDAC6 (0.59) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL8202073 0.90 HDAC8 (0.40) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL8202871 0.89 HDAC6 (0.43) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL8195555 0.89 KDM4E (0.40) HDAC6HDAC3HDAC8HDAC1ITGB3
SCHEMBL8205561 0.84 ITGB3 (0.37) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL3778756 0.83 HDAC6 (0.59) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL13061247 0.81 HDAC6 (0.56) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL28780382 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL8203576 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC8HDAC1HDAC4
SCHEMBL28780389 0.80 HDAC6 (0.54) HDAC6HDAC3HDAC8HDAC1HDAC4

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-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed