SCHEMBL8325355

SCHEMBL8325355

CC(C)(C)OC(=O)/C=C/c1cccc(Cc2nc(-c3ccccc3)c(Cl)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NR1H4 Q96RI1 5/20 0.41
AKR1B10 O60218 2/20 0.37
AKR1B1 P15121 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XPO1 O14980 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8325041 0.89 HDAC3 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8325932 0.86 HDAC1 (0.44) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8325738 0.83 HPGDS (0.43) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8325026 0.76 HDAC3 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8322585 0.75 HDAC1 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8318738 0.75 HDAC1 (0.49) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL27645996 0.73 NR1H4 (0.48) NR1H4AKR1B10AKR1B1MEN1KMT2A
SCHEMBL6732593 0.73 NR1H4 (0.50) HDAC8HDAC2NR1H4AKR1B10AKR1B1
SCHEMBL6732590 0.73 NR1H4 (0.50) HDAC8HDAC2NR1H4AKR1B10AKR1B1
SCHEMBL4679570 0.72 NR1H4 (0.50) NR1H4AKR1B10AKR1B1SMN1; SMN2KDM4E

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed