SCHEMBL3467263

SCHEMBL3467263

COC(=O)C(CC#Cc1cccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1)CCc1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
STAT3 P40763 1/20 0.39
PTPRS Q13332 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MCHR1 Q99705 7/20 0.36
HRH3 Q9Y5N1 6/20 0.36
PTGER1 P34995 1/20 0.35
ACLY P53396 1/20 0.35
ADAMTS4 O75173 1/20 0.34
NR1H3 Q13133 1/20 0.34
NR3C2 P08235 1/20 0.33
NR1H2 P55055 3/20 0.33
PTGER2 P43116 1/20 0.33
RORC P51449 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
SCHEMBL1855155 0.90 STAT5B (0.37) MMP13
SCHEMBL3469957 0.89 PTPN2 (0.40) PTPN2PTPN1STAT3PTPRSMMP12
SCHEMBL1855996 0.87 STAT5B (0.36) MMP13
SCHEMBL1861139 0.85 ALDH1A1 (0.36) MMP13PTGER1
SCHEMBL3470074 0.84 STAT3 (0.43) PTPN2PTPN1STAT3PTPRSMMP12
SCHEMBL3465873 0.83 MMP13 (0.42) PTPN2PTPN1STAT3PTPRSMMP12
SCHEMBL3467062 0.83 MMP13 (0.43) PTPN2PTPN1STAT3PTPRSMMP12
SCHEMBL1860841 0.81 PDE4A (0.38) PTGER1
SCHEMBL1857571 0.77 ALDH1A1 (0.39) MMP13PTGER1
SCHEMBL3466770 0.77 MMP13 (0.45) PTPN2PTPN1STAT3PTPRSMMP12

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