SCHEMBL3787916

SCHEMBL3787916

O=C(O)CCCc1occc1[AsH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 2/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL1667510 0.79 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28845910 0.74 RXFP1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20570855 0.70 RXFP1 (0.41) MAPK1SMN1; SMN2RXFP1MAPTALDH1A1
SCHEMBL3813036 0.68 KEAP1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7347559 0.67 KEAP1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2199125 0.67 MAPK1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL11635247 0.66 MAPK1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6208836 0.65 SMN1; SMN2 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23804836 0.65 CYP1A2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17537940 0.65 EPHX2 (0.58) 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-2010088729-A1 COMPOSITIONS AND USES THEREFOR UNIVERSITY OF TASMANIA THROUGH THE MENZIES RESEARCH INSTITUTE (AU) 2010-08-12 WO disclosed