SCHEMBL1724314

SCHEMBL1724314

CC(C)(C)OC(=O)N1Cc2cc(OS(=O)C(F)(F)F)ccc2C[C@H]1C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.47
PTPN1 P18031 3/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL864979 0.86 HDAC8 (0.48) HDAC8PTPN1
SCHEMBL864907 0.83 ESR2 (0.48) HDAC8PTPN1
SCHEMBL864906 0.83 ESR2 (0.48) HDAC8PTPN1
SCHEMBL7989939 0.83 HDAC8 (0.48) HDAC8PTPN1
SCHEMBL7988510 0.81 UCHL1 (0.52) HDAC8MEN1KMT2A
SCHEMBL7977798 0.78 HDAC8 (0.45) HDAC8PTPN1KMT2A
SCHEMBL864877 0.73 DPP4 (0.50) HDAC8PTPN1
SCHEMBL7977842 0.73 DPP4 (0.64) HDAC8PTPN1HDAC3HDAC4HDAC1
SCHEMBL7995839 0.73 DPP4 (0.64) HDAC8PTPN1HDAC3HDAC4HDAC1
SCHEMBL7989903 0.72 HDAC8 (0.53) HDAC8HDAC3HDAC4HDAC1HDAC7

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
EP-2406247-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed