SCHEMBL20201723

SCHEMBL20201723

CC(=O)SCCCCCC(C)C1CC(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC3 O15379 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
SLC25A5 P05141 2/20 0.37
S100A4 P26447 1/20 0.35
ACE P12821 3/20 0.33
MAOB P27338 1/20 0.30

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
SCHEMBL20201781 1.00 HDAC4 (0.42) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL20201784 0.80 S100A4 (0.40) SLC25A5S100A4MAOB
SCHEMBL20376450 0.80 S100A4 (0.40) SLC25A5S100A4MAOB
SCHEMBL20376256 0.76 S100A4 (0.39) SLC25A5S100A4
SCHEMBL20201727 0.76 S100A4 (0.39) SLC25A5S100A4
SCHEMBL20208493 0.76 S100A4 (0.39) SLC25A5S100A4
SCHEMBL9728915 0.70 S100A4 (0.40) S100A4
SCHEMBL10440488 0.69 S100A4 (0.50) SLC25A5S100A4MAOB
SCHEMBL20207026 0.69 S100A4 (0.53) SLC25A5S100A4MAOB
SCHEMBL25123844 0.64 HDAC8 (0.55) HDAC4HDAC1HDAC6HDAC3HDAC7

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed