SCHEMBL21540971

SCHEMBL21540971

Cc1ccc(S(=O)(=O)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 4/20 0.50
ELANE P08246 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
RAPGEF4 Q8WZA2 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42

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
SCHEMBL12606796 0.95 HTT (0.67) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL482310 0.92 PKM (0.58) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL16221627 0.90 HTT (0.61) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL23075718 0.85 HTR6 (0.54) GAAHTTSMN1; SMN2PKMELANE
SCHEMBL19632244 0.84 HTT (0.54) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL317934 0.83 ACHE (0.50) TDP1BCHEACHEMAPTMEN1
SCHEMBL419122 0.83 ELANE (0.65) GAAHTTSMN1; SMN2PKMELANE
SCHEMBL16281927 0.83 ALDH1A1 (0.50) GAAPKMELANEBCHEACHE
SCHEMBL10988447 0.83 BCHE (0.66) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL12606789 0.82 GAA (0.53) GAAHTTSMN1; SMN2TDP1L3MBTL1

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-10465046-B2 Polyarylether ketone imide adhesives THE BOEING COMPANY (US) 2019-11-05 US disclosed