SCHEMBL6695939

SCHEMBL6695939

O=C(O)c1ccc(S(=O)(=O)O)c(S(=O)(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SELL P14151 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
SCHEMBL30705724 0.86 HSD17B10 (0.42) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL8606449 0.86 HSD17B10 (0.42) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL6296808 0.82 ALDH1A1 (0.47) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL1892536 0.81 CYP2D6 (0.38) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL6064530 0.80 CYP2D6 (0.56) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL29010656 0.79 CYP2D6 (0.37) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL27589705 0.78 ALDH1A1 (0.40) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL7548135 0.78 ALDH1A1 (0.43) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL6652615 0.78 TDP1 (0.36) CYP2D6ALDH1A1HSD17B10CASP1CASP7
SCHEMBL6652603 0.78 CYP2D6 (0.42) CYP2D6ALDH1A1HSD17B10CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979104-B1 SONODYNAMIC THERAPY USING AN ULTRASOUND SENSITIZER COMPOUND AMERSHAM HEALTH AS (NO) 2004-09-15 EP disclosed
US-6498945-B1 FREE RADICAL GENERATION OF WATER SOLUBLE POLYMER TO ENHANCE CYTOPATHOGENIC EFFICACY AMERSHAM HEALTH AS (NO) 2002-12-24 US disclosed
EP-1216155-A1 IMAGE RECORDING MEDIA 3M Innovative Properties Company (US) 2002-06-26 EP disclosed
WO-2001010650-A1 IMAGE RECORDING MEDIA 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-02-15 WO disclosed
EP-0979104-A1 SONODYNAMIC THERAPY USING AN ULTRASOUND SENSITIZER COMPOUND NYCOMED IMAGING A/S (NO) 2000-02-16 EP disclosed
WO-1998052609-A1 SONODYNAMIC THERAPY USING AN ULTRASOUND SENSITIZER COMPOUND NYCOMED IMAGING AS (NO) 1998-11-26 WO disclosed
WO-1998048845-A1 METHOD OF DEMARCATING TISSUE NYCOMED IMAGING AS (NO) 1998-11-05 WO disclosed