SCHEMBL8990271

SCHEMBL8990271

CCCOC(CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
LMNA P02545 4/20 0.41
TRPA1 O75762 3/20 0.41
GPR88 Q9GZN0 1/20 0.40
AOC3 Q16853 2/20 0.40
HTT P42858 2/20 0.39
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 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
SCHEMBL24925628 1.00 GSR (0.47) GSRLMNATRPA1GPR88AOC3
SCHEMBL7759602 0.89 GSR (0.45) GSRLMNATRPA1GPR88TSHR
SCHEMBL5550370 0.88 GSR (0.50) GSRLMNATRPA1HTTSCN1A
SCHEMBL29033399 0.86 NPC1 (0.46) GSRLMNAGPR88TSHRALDH1A1
SCHEMBL4871158 0.84 LMNA (0.43) LMNAAOC3HTTSCN1ASCN2A
SCHEMBL5831230 0.84 GSR (0.50) GSRLMNATRPA1
SCHEMBL23868114 0.84 GSR (0.50) GSRLMNATRPA1
SCHEMBL6523432 0.83 GSR (0.46) GSRLMNATRPA1GPR88HTT
SCHEMBL3489157 0.81 LMNA (0.45) GSRLMNATRPA1AOC3HTT
SCHEMBL28637395 0.81 HTT (0.39) LMNAAOC3HTTSCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9263767-B2 Electrolyte solution for electrochemical devices WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-16 US disclosed
US-20140162143-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-06-12 US disclosed
EP-2738862-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES Wako Pure Chemical Industries, Ltd. (JP) 2014-06-04 EP disclosed
CN-101220336-B Saccharomycete with stereoselectivity lipase liveness and application in producing S- type betaxolol hydrochloride with biological split method thereof UNIV ZHENGZHOU 2010-11-03 CN disclosed
CN-101220336-A Saccharomycete with stereoselectivity lipase liveness and application in producing S- type betaxolol hydrochloride with biological split method thereof UNIV ZHENGZHOU (CN) 2008-07-16 CN disclosed
US-5500484-A FROM ALDEHYDE KURARAY CO., LTD. (JP) 1996-03-19 US disclosed
EP-0641757-A1 2-Aryl-1,3-propanediol and dioxane derivatives and their preparation KURARAY CO., LTD. (JP) 1995-03-08 EP disclosed