SCHEMBL5655672

SCHEMBL5655672

O=C(O)c1cc(S(=O)(=O)O)c(C(=O)O)cc1[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 2/20 0.40
KIF11 P52732 1/20 0.40
ADCY10 Q96PN6 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39

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
SCHEMBL718945 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL6252709 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL1044488 0.81 HSD17B10 (0.52) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL3499329 0.76 HSD17B10 (0.44) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL5402457 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL812678 0.73 HSD17B10 (0.55) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL5172193 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL8462288 0.73 HSD17B10 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL8464704 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP1CASP7TDP1
SCHEMBL8988431 0.71 CYP2D6 (0.58) ALDH1A1HSD17B10CASP1CASP7TDP1

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-1252219-B1 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA (US) 2006-08-16 EP disclosed
US-6576716-B1 Reacting sulfo salt-substituted aromatic carboxylic acid and alcohol; ester interchange or esterification with polyethylene terephthalate homo- or copolymer RHODIA, INC 2003-06-10 US disclosed
EP-1252219-A2 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA INC. (US) 2002-10-30 EP disclosed
WO-2001040349-A2 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA INC. (US) 2001-06-07 WO disclosed