SCHEMBL8769688

SCHEMBL8769688

C=CCc1ccccc1OS(=O)(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
LMNA P02545 3/20 0.39
ADRA2C P18825 3/20 0.39
HTR1A P08908 2/20 0.39
ADRB3 P13945 1/20 0.39
SLC6A2 P23975 1/20 0.39
BDKRB2 P30411 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 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
Ether SCHEMBL4296253 0.88 MAPT (0.41) MAPTTHRBALDH1A1GAAADRB2
SCHEMBL2422286 0.87 KDM4E (0.44) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL3267413 0.85 MAPT (0.40) MAPTTHRBALDH1A1GAAADRB2
SCHEMBL8525256 0.84 KDM4E (0.40) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL29006872 0.81 ALDH1A1 (0.44) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL7364123 0.80 ALDH1A1 (0.38) MAPTALDH1A1GAALMNAKDM4E
Ether SCHEMBL1678479 0.79 ALDH1A1 (0.42) MAPTTHRBALDH1A1GAAADRB2
SCHEMBL1164563 0.79 MAPT (0.41) MAPTTHRBALDH1A1GAAADRB2
Ether SCHEMBL1074739 0.78 ALDH1A1 (0.41) MAPTTHRBALDH1A1GAAADRB2
Ether SCHEMBL6263790 0.78 ALDH1A1 (0.41) MAPTTHRBALDH1A1GAAADRB2

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
EP-0631010-B1 Method for improving pulp washing efficiency BETZ EUROP INC (US) 1997-07-30 EP claimed