SCHEMBL6239953

SCHEMBL6239953

CCOC(=O)C=CC(C)=Cc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.71
HDAC4 P56524 6/20 0.71
HDAC6 Q9UBN7 6/20 0.71
HDAC3 O15379 5/20 0.71
HDAC7 Q8WUI4 5/20 0.71
HDAC2 Q92769 5/20 0.71
HDAC10 Q969S8 5/20 0.71
HDAC11 Q96DB2 5/20 0.71
HDAC8 Q9BY41 5/20 0.71
HDAC9 Q9UKV0 5/20 0.71
HDAC5 Q9UQL6 5/20 0.71
PAX8 Q06710 1/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GFER P55789 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL6239949 1.00 HDAC1 (0.71) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6237618 0.94 HDAC1 (0.66) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6237611 0.94 HDAC1 (0.66) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6244200 0.88 HDAC1 (0.69) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6241988 0.88 HDAC1 (0.69) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6237456 0.88 HDAC1 (0.67) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6239623 0.88 HDAC1 (0.67) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6239617 0.85 HDAC1 (0.79) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6239624 0.85 HDAC1 (0.79) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL6237614 0.85 HDAC1 (0.62) HDAC1HDAC4HDAC6HDAC3HDAC7

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