SCHEMBL2360932

SCHEMBL2360932

Cc1ccc(S(=O)(=O)OCC#CC#CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
ENPP3 O14638 2/20 0.39
ENPP1 P22413 2/20 0.39
ENPP2 Q13822 2/20 0.39
GAA P10253 3/20 0.37
CYP2D6 P10635 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 2/20 0.37
PPARG P37231 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL542839 0.92 GAA (0.43) STAT3SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL12696531 0.90 STAT3 (0.43) STAT3SMN1; SMN2RECQLENPP3ENPP1
SCHEMBL11133439 0.87 STAT3 (0.40) STAT3ENPP3ENPP1ENPP2GAA
SCHEMBL7644858 0.85 GAA (0.46) STAT3SMN1; SMN2GAACYP2D6CA1
SCHEMBL11142877 0.81 ENPP3 (0.36) STAT3SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL4801283 0.80 CYP1A2 (0.44) STAT3GAACYP2D6CA1CA2
SCHEMBL7456678 0.79 GAA (0.41) STAT3SMN1; SMN2GAACYP2D6CA1
SCHEMBL1603835 0.79 GAA (0.41) STAT3SMN1; SMN2GAACYP2D6CA1
SCHEMBL7457487 0.79 GAA (0.41) STAT3SMN1; SMN2GAACYP2D6CA1
SCHEMBL16344942 0.79 GAA (0.41) STAT3SMN1; SMN2GAACYP2D6CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385637-B1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2011-08-24 EP disclosed
EP-1385637-A4 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2006-10-18 EP disclosed
US-20040058058-A1 Prefatory anti-forgery protection and consecutive machine-assisted authentication of genuine documents and other values SHCHEGOLIKHIN ALEXANDER NIKITO (RU) 2004-03-25 US disclosed
EP-1385637-A1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION Quantag Systems, Inc. (US) 2004-02-04 EP disclosed
US-6610351-B2 Spectroscopy QUANTAG SYSTEMS, INC. 2003-08-26 US disclosed
WO-2002085543-A1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS, INC. (US) 2002-10-31 WO disclosed
US-20020025490-A1 Spectroscopy CHROMATIC TECHNOLOGIES, INC. 2002-02-28 US disclosed