SCHEMBL8549449

SCHEMBL8549449

CC(O[C]=O)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
PTGS2 P35354 2/20 0.35
DRD1 P21728 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL21519825 0.85 CA2 (0.45) SMN1; SMN2
SCHEMBL1378451 0.85 CA2 (0.45) SMN1; SMN2
SCHEMBL6750243 0.84 CA1 (0.44)
SCHEMBL2032391 0.83 CA12 (0.40) SMN1; SMN2
SCHEMBL5314145 0.80 CA1 (0.49)
SCHEMBL9043455 0.75 LMNA (0.50) SMN1; SMN2
SCHEMBL14520771 0.73 ENPP2 (0.52) ENPP2PTGS2
SCHEMBL2376239 0.69 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL1487482 0.68 ENPP2 (0.46) ENPP2PTGS2
SCHEMBL10078900 0.68 PTGS2 (0.48) ENPP2PTGS2

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
US-5726243-A Mild solid-phase synthesis of aligned, branched triple-helical peptides REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-03-10 US disclosed