SCHEMBL8549453

SCHEMBL8549453

CCOC(=O)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ENPP2 Q13822 2/20 0.45
PTGS2 P35354 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9652368 0.89 KMT2A (0.54) ALDH1A1KMT2AGAANPSR1LMNA
SCHEMBL6024157 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL6748121 0.80 PKM (0.51) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL63779 0.78 KMT2A (0.64) ALDH1A1KMT2AGAANPSR1LMNA
SCHEMBL2643475 0.75 ALDH1A1 (0.47) ALDH1A1PTGS2KMT2AGAAMAPT
SCHEMBL2665963 0.75 LMNA (0.56) ALDH1A1KMT2AGAANPSR1LMNA
SCHEMBL18016057 0.74 KMT2A (0.59) ALDH1A1PTGS2KMT2AGAANPSR1
SCHEMBL2225281 0.73 PHGDH (0.43) ALDH1A1ENPP2PTGS2KMT2AGAA
SCHEMBL5091783 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AGAANPSR1RECQL
SCHEMBL19859189 0.73 CA12 (0.46) ALDH1A1ENPP2

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