SCHEMBL6148121

SCHEMBL6148121

Cc1ccc(S(=O)(=O)Oc2ccccc2CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
GAA P10253 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
DHODH Q02127 2/20 0.50
VDR P11473 1/20 0.49
HTT P42858 1/20 0.47
CYP3A4 P08684 3/20 0.46
HSD11B1 P28845 1/20 0.46
HSD17B3 P37058 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL6934698 0.88 LMNA (0.53) MEN1KMT2AGAAESR1ESR2
SCHEMBL3841651 0.87 LMNA (0.55) MEN1KMT2AGAAESR1ESR2
SCHEMBL8499352 0.87 DHODH (0.59) MEN1KMT2AGAAESR1ESR2
SCHEMBL15249773 0.86 DHODH (0.48) MEN1KMT2AGAAESR1ESR2
SCHEMBL3142288 0.84 LMNA (0.52) MEN1KMT2AGAAESR1ESR2
SCHEMBL11260400 0.84 LMNA (0.52) MEN1KMT2AGAAESR1ESR2
SCHEMBL11110671 0.84 LMNA (0.52) MEN1KMT2AGAAESR1ESR2
SCHEMBL11110675 0.82 LMNA (0.51) MEN1KMT2AGAAESR1ESR2
SCHEMBL28027224 0.82 LMNA (0.50) MEN1KMT2AGAAESR1ESR2
SCHEMBL8558118 0.81 DHODH (0.51) MEN1KMT2AGAAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed