SCHEMBL8326653

SCHEMBL8326653

COC(=O)c1ccc2[nH]c(Cc3ccc(/C=C/C(=O)O)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC3 O15379 4/20 0.53
HDAC4 P56524 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8318679 0.85 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23280103 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMAPK1HSD17B10POLB
SCHEMBL13991772 0.84 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMAPK1HSD17B10POLB
SCHEMBL8325649 0.84 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8321831 0.82 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4565565 0.82 MAPT (0.48) SMN1; SMN2MAPTMAPK1HSD17B10PKM
SCHEMBL8321374 0.81 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326510 0.81 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326645 0.81 HDAC3 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23280169 0.81 KIF11 (0.50) SMN1; SMN2MAPTMAPK1HSD17B10POLB

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