SCHEMBL9490139

SCHEMBL9490139

CC(C)(C)c1cc(SC/C=C/C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HPN P05981 1/20 0.46
ALOX15 P16050 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
VCAM1 P19320 10/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
TNFRSF1A P19438 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL9490152 1.00 MAPT (0.46) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL9490898 0.90 MAPT (0.42) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL9490895 0.90 MAPT (0.42) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL9328360 0.85 MAPT (0.44) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL9328370 0.85 MAPT (0.44) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL8310178 0.79 MAPT (0.53) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL9490016 0.76 MAPT (0.50) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL9490014 0.76 MAPT (0.50) MAPTHPNALOX15SIRT5GABBR2
SCHEMBL11300873 0.76 ALDH1A1 (0.50) MAPTALOX15GABBR2GABBR1GLRA3
SCHEMBL4397391 0.76 HPN (0.53) MAPTHPNALOX15SIRT5GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348203-B1 PHENOLIC THIOETHERS, THEIR PRODUCTION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP claimed
US-5084214-A Compounds for the treatment of artheriosclerosis SHIONOGI & CO., LTD. (JP) 1992-01-28 US claimed
EP-0348203-A1 Phenolic thioethers, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-12-27 EP claimed
EP-0348203-B1 PHENOLIC THIOETHERS, THEIR PRODUCTION AND USE SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed
US-5084214-A Compounds for the treatment of artheriosclerosis SHIONOGI & CO., LTD. (JP) 1992-01-28 US disclosed
EP-0348203-A1 Phenolic thioethers, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-12-27 EP disclosed