SCHEMBL11268765

SCHEMBL11268765

Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)C(C)(C)C(N2CCCCC2)O3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP1 P22413 3/20 0.39
ENPP3 O14638 2/20 0.39
ENPP2 Q13822 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
CNR2 P34972 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL11268564 0.91 GAA (0.55) GAAALDH1A1NPSR1MAPTHPGD
SCHEMBL11256107 0.85 GAA (0.47) GAAALDH1A1HPGDENPP1ENPP3
SCHEMBL11260765 0.83 GAA (0.48) GAAALDH1A1HPGDENPP1ENPP3
SCHEMBL11812803 0.82 GAA (0.45) GAAALDH1A1MAPTHTTL3MBTL1
SCHEMBL11256616 0.81 GAA (0.46) GAAENPP1ENPP3ENPP2CA2
SCHEMBL11260475 0.81 GAA (0.44) GAAENPP1ENPP3ENPP2CA12
SCHEMBL11810506 0.81 GAA (0.46) GAAALDH1A1MAPTHTTL3MBTL1
SCHEMBL11811085 0.79 GAA (0.42) GAAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11811672 0.78 GAA (0.43) GAAALDH1A1MAPTHPGDL3MBTL1
SCHEMBL11258761 0.75 GAA (0.61) GAAALDH1A1HPGDKMT2ADRD3

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
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed