SCHEMBL5795455

SCHEMBL5795455

COc1ccc(NCC(=Cc2ccc(C(=O)NO)cc2)COc2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.47
PARP14 Q460N5 1/20 0.46
HDAC3 O15379 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC2 Q92769 5/20 0.44
P2RX3 P56373 1/20 0.44
HDAC8 Q9BY41 5/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 2/20 0.40

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
SCHEMBL5799824 1.00 HDAC1 (0.47) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5797058 0.92 PARP14 (0.43) HDAC1PARP14MAPTMEN1KMT2A
SCHEMBL5798774 0.92 PARP14 (0.43) HDAC1PARP14MAPTMEN1KMT2A
SCHEMBL5799276 0.90 HDAC1 (0.49) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5799274 0.90 HDAC1 (0.49) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5795517 0.90 P2RX3 (0.42) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5795513 0.90 P2RX3 (0.42) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5796106 0.85 P2RX3 (0.43) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5798858 0.84 P2RX3 (0.47) HDAC1PARP14HDAC3HDAC6HDAC2
SCHEMBL5796184 0.83 HDAC6 (0.51) HDAC1HDAC3HDAC6HDAC2P2RX3

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