SCHEMBL4297142

SCHEMBL4297142

Cc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.66
NSD2 O96028 3/20 0.65
CASP6 P55212 5/20 0.56
DUSP3 P51452 2/20 0.56
PTPN5 P54829 2/20 0.56
PTPN11 Q06124 2/20 0.56
CASP7 P55210 1/20 0.56
CYP2C9 P11712 3/20 0.55
CYP1A2 P05177 3/20 0.55
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2C19 P33261 2/20 0.51
SNCA P37840 1/20 0.51
PRMT1 Q99873 1/20 0.49
HIF1A Q16665 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.41
TSHR P16473 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40

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
SCHEMBL15180637 0.86 CASP6 (0.66) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL8109724 0.85 NT5E (0.74) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL4297147 0.84 SNCA (0.49) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL12807708 0.84 SNCA (0.49) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL11511934 0.84 CASP6 (0.78) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL1413079 0.82 NT5E (0.70) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL29429653 0.82 NT5E (0.70) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL1070221 0.82 NT5E (0.70) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL1070218 0.81 NT5E (0.68) NT5ENSD2CASP6DUSP3PTPN5
SCHEMBL11216432 0.81 NT5E (0.68) NT5ENSD2CASP6DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2633087-B1 NON-METAL TANNING PROCESS STAHL INT BV (NL) 2014-09-17 EP disclosed
US-8795389-B2 Non metal tanning STAHL INTERNATIONAL B.V. (NL) 2014-08-05 US disclosed
US-20130205516-A1 Non Metal Tanning CLARIANT FINANCE (BVI) LIMITED (VG) 2013-08-15 US disclosed
WO-2012055481-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 WO disclosed
WO-2012055483-A1 NON-METAL TANNING PROCESS CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 WO disclosed