SCHEMBL5772553

SCHEMBL5772553

Cc1ccc(S(=O)(=O)O[C@@H](c2cccc(OCc3ccccc3)c2)[C@@H](OS(=O)(=O)c2ccc(C)cc2)c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 6/20 0.46
PIR O00625 1/20 0.46
MAOA P21397 1/20 0.45
ALOX5 P09917 1/20 0.44
BCHE P06276 1/20 0.44
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43

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
SCHEMBL25203287 0.83 AR (0.49) ARMAOBPIRMAOABCHE
SCHEMBL25203286 0.83 AR (0.49) ARMAOBPIRMAOABCHE
SCHEMBL11167180 0.82 AR (0.48) ARKMT2ASMN1; SMN2MAOBPIR
SCHEMBL9475352 0.79 VDR (0.46) SMN1; SMN2BCHELMNACA12CA1
SCHEMBL15465418 0.79 AR (0.43) ARKMT2ASMN1; SMN2MAOBPIR
SCHEMBL9845788 0.76 AR (0.46) ARMAOBPIRMAOABCHE
SCHEMBL5772815 0.76 AR (0.52) ARKMT2ASMN1; SMN2PIRBCHE
SCHEMBL5772803 0.76 AR (0.52) ARKMT2ASMN1; SMN2PIRBCHE
SCHEMBL5772810 0.76 AR (0.52) ARKMT2ASMN1; SMN2PIRBCHE
SCHEMBL1827190 0.75 MEN1 (0.43) ARKMT2AMAOBBCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676635-A2 Immobilisable ligands derived from ethylenediamine Johnson Matthey PLC (GB) 2006-07-05 EP disclosed
US-20060135355-A1 Nitrogen-containing ligands JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2006-06-22 US disclosed
EP-1545772-A2 NITROGEN-CONTAINING LIGANDS Johnson Matthey PLC (GB) 2005-06-29 EP disclosed
WO-2004014551-A2 IMMOBILISED LIGANDS DERIVED FROM ETHYLENEDIAMINE JOHNSON MATTHEY PLC (GB) 2004-02-19 WO disclosed