SCHEMBL8202073

SCHEMBL8202073

C=C(NO)c1ccc(N2CCC(CN[C@H](C(=O)O)C3CCCCC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.40
HDAC3 O15379 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
KDM1A O60341 2/20 0.39
USP2 O75604 2/20 0.36
HDAC1 Q13547 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL8195555 0.97 KDM4E (0.40) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL8205833 0.90 HDAC6 (0.47) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL27899511 0.89 HDAC6 (0.50) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL3770556 0.89 HDAC6 (0.50) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL27899512 0.87 HDAC6 (0.47) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL3772867 0.87 HDAC6 (0.47) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL8195548 0.85 HDAC6 (0.37) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL8203124 0.80 HDAC3 (0.34) HDAC8HDAC3KDM4EALDH1A1KMT2A
SCHEMBL3772418 0.79 HDAC6 (0.59) HDAC8HDAC3HDAC6KDM1AHDAC1
SCHEMBL13061218 0.78 HDAC6 (0.47) HDAC8HDAC3KDM4EALDH1A1KMT2A

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