SCHEMBL8202871

SCHEMBL8202871

C=C(NO)c1ccc(N2CCC(CNCc3ccc(CN[C@H](C(=O)OC4CCCC4)C4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.43
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC4 P56524 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM1A O60341 1/20 0.35
ITGB3 P05106 6/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
PRSS1 P07477 6/20 0.34

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
SCHEMBL28780382 0.92 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL28780389 0.92 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8203576 0.92 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8195548 0.90 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC8KDM1A
SCHEMBL8205833 0.89 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8204583 0.86 OPRM1 (0.34) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13061247 0.83 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8203236 0.81 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL27762759 0.81 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL27762756 0.81 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC4

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