SCHEMBL5799477

SCHEMBL5799477

COC(=O)c1ccc(C=C(C)CNc2cccc3cc4ccccc4cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GLO1 Q04760 1/20 0.41
MAPT P10636 9/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
NPC1 O15118 5/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 7/20 0.39
RAB9A P51151 6/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL5796792 0.90 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5795676 0.89 MAPT (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5812089 0.87 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5799702 0.82 ESR1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5808920 0.81 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5798915 0.79 SLC40A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5799162 0.78 MEN1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5797237 0.78 MAPT (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5798829 0.76 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5796419 0.76 RAB9A (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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