SCHEMBL8990286

SCHEMBL8990286

COC1(c2ccccc2)COC(C)(C)OC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRL1 P41146 4/20 0.42
OPRK1 P41145 2/20 0.42
OPRD1 P41143 1/20 0.42
ALOX5 P09917 2/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD5 Q86SK9 1/20 0.35
CYP1A2 P05177 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
HSD11B1 P28845 2/20 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
SCHEMBL28452149 0.82 ALOX5 (0.49) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL8990273 0.79 GAA (0.42) OPRM1OPRL1OPRK1OPRD1CHRNB2
SCHEMBL11462510 0.75 CHRNB2 (0.41) OPRM1OPRL1OPRK1CHRNB2SLC6A2
SCHEMBL13876257 0.74 OPRM1 (0.59) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL15630944 0.72 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8990373 0.72 CHRNB2 (0.46) OPRM1OPRL1OPRK1OPRD1CHRNB2
SCHEMBL10821867 0.71 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL14899046 0.71 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL13444795 0.71 ALOX5 (0.54) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL13404297 0.70 MEN1 (0.51) OPRM1OPRK1OPRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7133272-A None JP disclosed
US-5500484-A FROM ALDEHYDE KURARAY CO., LTD. (JP) 1996-03-19 US disclosed
JP-H07133272-A 5-ALKOXY-5-ARYL-1,3-DIOXANE OR ITS DERIVATIVE AND PROUCTION THEREOF KURARAY CO LTD 1995-05-23 JP disclosed
EP-0641757-A1 2-Aryl-1,3-propanediol and dioxane derivatives and their preparation KURARAY CO., LTD. (JP) 1995-03-08 EP disclosed