SCHEMBL28061487

SCHEMBL28061487

CC1(c2ccccc2)CCCOO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL16990752 0.84 HSD11B1 (0.42) HSD11B1OPRM1OPRK1OPRL1DPP4
SCHEMBL9608820 0.80 HSD11B1 (0.40) HSD11B1OPRM1OPRK1OPRL1CYP1A2
SCHEMBL22123806 0.76 DPP4 (0.35) OPRM1OPRK1OPRL1DPP4SLC6A2
SCHEMBL11465523 0.74 HSD11B1 (0.39) HSD11B1OPRM1OPRK1OPRL1CYP1A2
SCHEMBL1692246 0.73 SLC6A4 (0.41) HSD11B1OPRM1CYP1A2SLC6A2SLC6A4
SCHEMBL5684310 0.73 HSD11B1 (0.40) HSD11B1OPRM1OPRK1OPRL1CYP1A2
SCHEMBL27728282 0.69 CYP1A2 (0.38) HSD11B1OPRM1OPRK1OPRL1CYP1A2
SCHEMBL28217030 0.69 DPP4 (0.46) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL27618701 0.69 OPRM1 (0.33) OPRM1ALDH1A1TSHRDPP4
SCHEMBL11938179 0.68 CHRNB2 (0.44) HSD11B1OPRM1OPRK1OPRL1CYP1A2

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