SCHEMBL5680752

SCHEMBL5680752

Nc1cc(OS(=O)(=O)O)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
IDO1 P14902 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
PPM1B O75688 1/20 0.42
GAA P10253 2/20 0.41
GLA P06280 2/20 0.41
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 2/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL10799274 0.86 KMT2A (0.52) ALDH1A1KDM4EHSD17B10IDO1TDP1
SCHEMBL10900544 0.80 NR4A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL714478 0.80 NR4A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDIDO1
SCHEMBL18396651 0.79 HTT (0.43) ALDH1A1KDM4ETDP1GAAGLA
SCHEMBL11136116 0.78 GAA (0.45) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL30274255 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL10448617 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL7755552 0.77 GLA (0.44) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL147211 0.77 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDTDP1CYP3A4
SCHEMBL7554668 0.74 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307512-B1 DYE MIXTURE OF WATER-SOLUBLE, FIBRE-REACTIVE DYES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2006-02-01 EP disclosed
EP-1307512-A1 DYE MIXTURE OF WATER-SOLUBLE, FIBRE-REACTIVE DYES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2003-05-07 EP disclosed
WO-2002010289-A1 DYE MIXTURE OF WATER-SOLUBLE, FIBRE-REACTIVE DYES, METHOD FOR THEIR PRODUCTION AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-02-07 WO disclosed