SCHEMBL3469959

SCHEMBL3469959

Cc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2cccc(CCCC(C)(CCc3ccc(-c4cccc(C#N)c4)cc3)C(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRS Q13332 1/20 0.42
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MCHR1 Q99705 7/20 0.37
HRH3 Q9Y5N1 6/20 0.37
FFAR1 O14842 1/20 0.35
STAT5B P51692 1/20 0.34
ADAMTS4 O75173 1/20 0.34
NR3C2 P08235 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL3470074 0.89 STAT3 (0.43) STAT3PTPN2PTPN1PTPRSMMP12
SCHEMBL3469957 0.85 PTPN2 (0.40) STAT3PTPN2PTPN1PTPRSMMP12
SCHEMBL3466770 0.78 MMP13 (0.45) STAT3PTPN2PTPN1PTPRSMMP12
SCHEMBL3467263 0.77 PTPN2 (0.39) STAT3PTPN2PTPN1PTPRSMMP12
SCHEMBL3467062 0.76 MMP13 (0.43) STAT3PTPN2PTPN1PTPRSMMP12
SCHEMBL1860371 0.73 STAT5B (0.41) STAT5BPTGER1
SCHEMBL1855850 0.72 STAT5B (0.40) STAT5B
SCHEMBL3465873 0.72 MMP13 (0.42) STAT3PTPN2PTPN1PTPRSMMP12
SCHEMBL4927290 0.71 SIRT2 (0.48) STAT3
SCHEMBL1855996 0.70 STAT5B (0.36) MMP13STAT5B

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-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed