SCHEMBL28061485

SCHEMBL28061485

CC1(c2ccccc2)COCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.42
ADRA1D P25100 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD11B1 P28845 3/20 0.36
TSHR P16473 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL123189 0.83 CHRNB2 (0.44) CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL5855213 0.83 CHRNB2 (0.44) CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL11938179 0.83 CHRNB2 (0.44) CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL10643075 0.82 CHRNB2 (0.39) CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL2478984 0.75 HTR1A (0.44) HTR1AADRA1DCHRM2CHRM4CHRM1
SCHEMBL9608820 0.73 HSD11B1 (0.40) CYP1A2HSD11B1TSHROPRM1OPRK1
SCHEMBL1414768 0.73 HTR1A (0.43) HTR1AADRA1DCHRM2CHRM4CHRM1
SCHEMBL28216267 0.72 HTR1A (0.39) HTR1AADRA1DBACE1
SCHEMBL2382380 0.72 HTR1A (0.39) HTR1AADRA1DCYP1A2CHRNB2SLC6A2
SCHEMBL11465523 0.72 HSD11B1 (0.39) CYP1A2SLC6A2SLC6A3HSD11B1TSHR

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
CN-103113400-B The method of synthesis of phenyl methyl dioxane TMOS Tianjin Kaimeitai Biological Science & Technology Co., Ltd. (CN) 2016-04-27 CN claimed
CN-103113400-B The method of synthesis of phenyl methyl dioxane TMOS Tianjin Kaimeitai Biological Science & Technology Co., Ltd. (CN) 2016-04-27 CN disclosed
CN-103113400-B The method of synthesis of phenyl methyl dioxane TMOS Tianjin Kaimeitai Biological Science & Technology Co., Ltd. (CN) 2016-04-27 CN disclosed
CN-103113400-B The method of synthesis of phenyl methyl dioxane TMOS Tianjin Kaimeitai Biological Science & Technology Co., Ltd. (CN) 2016-04-27 CN disclosed
CN-101343285-B Methyl-phenyl hybrid ring siloxane preparing method UNIV HANGZHOU NORMAL 2011-01-19 CN disclosed
CN-101343285-A Methyl-phenyl hybrid ring siloxane preparing method UNIV HANGZHOU NORMAL (CN) 2009-01-14 CN disclosed