SCHEMBL6237611

SCHEMBL6237611

CCOC(=O)/C=C/C=C/C(C)=C/c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.66
HDAC4 P56524 6/20 0.66
HDAC3 O15379 5/20 0.66
HDAC7 Q8WUI4 5/20 0.66
HDAC2 Q92769 5/20 0.66
HDAC10 Q969S8 5/20 0.66
HDAC11 Q96DB2 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC6 Q9UBN7 5/20 0.66
HDAC9 Q9UKV0 5/20 0.66
HDAC5 Q9UQL6 5/20 0.66
PAX8 Q06710 1/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.47

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
SCHEMBL6237618 1.00 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6239949 0.94 HDAC1 (0.71) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6239953 0.94 HDAC1 (0.71) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6240216 0.89 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6240690 0.89 HDAC1 (0.72) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6244702 0.83 HDAC1 (0.62) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6237614 0.83 HDAC1 (0.62) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6244200 0.82 HDAC1 (0.69) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6241988 0.82 HDAC1 (0.69) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL6237456 0.81 HDAC1 (0.67) HDAC1HDAC4HDAC3HDAC7HDAC2

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-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 WO claimed