SCHEMBL5790108

SCHEMBL5790108

NC(=O)c1ccccc1OCCCCNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.57
HDAC3 O15379 6/20 0.57
HDAC1 Q13547 6/20 0.57
HDAC4 P56524 5/20 0.57
HDAC7 Q8WUI4 5/20 0.57
HDAC2 Q92769 5/20 0.57
HDAC10 Q969S8 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
HDAC5 Q9UQL6 5/20 0.57
ADRA2A P08913 5/20 0.51
HTR2B P41595 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC6A3 Q01959 2/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51

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
SCHEMBL442963 0.77 HDAC1 (0.64) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL21375731 0.76 HDAC1 (0.74) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL11441208 0.76 HDAC3 (0.69) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL22121431 0.76 HDAC3 (0.69) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL1192990 0.76 HDAC1 (0.74) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL7386781 0.74 PARP1 (0.53) HDAC6ADRA2AHTR2BMEN1LMNA
SCHEMBL11220445 0.73 HDAC1 (0.74) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL12422572 0.73 HDAC1 (0.74) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL3247728 0.73 HDAC1 (0.74) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL28444240 0.73 HDAC1 (0.74) HDAC6HDAC3HDAC1HDAC4HDAC7

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
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed