SCHEMBL5797413

SCHEMBL5797413

CC(=Cc1ccc(C(=O)NO)cc1)CNc1cccc2c(O)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.51
HDAC1 Q13547 10/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
NCOR2 Q9Y618 1/20 0.41
KDM1A O60341 4/20 0.40
MAPT P10636 2/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 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
SCHEMBL5797556 0.88 MAPT (0.47) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5798829 0.87 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5799702 0.86 ESR1 (0.43) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5797898 0.82 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5812089 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5806973 0.76 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5807501 0.76 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5799613 0.75 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5797237 0.75 MAPT (0.63) HDAC6HDAC1HDAC2HDAC11HDAC8
SCHEMBL5795578 0.73 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC11HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO claimed
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed