SCHEMBL3471398

SCHEMBL3471398

CC1(C)COC1(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
SLC6A2 P23975 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRL1 P41146 2/20 0.37
OPRK1 P41145 1/20 0.37
DRD4 P21917 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 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
SCHEMBL13657908 0.75 CHRNA1 (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5855213 0.73 CHRNB2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL123189 0.73 CHRNB2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11938179 0.73 CHRNB2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL19809331 0.70 ALDH1A1 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL4376737 0.68 PNMT (0.45) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11462510 0.68 CHRNB2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL873359 0.68 CHRNB2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL1322736 0.67 CHRM2 (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL13471 0.67 KCNH2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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
US-8378012-B2 Flame retardant composition and hydrolysis-susceptible resin containing same ICL-IP AMERICA INC. (US) 2013-02-19 US disclosed
US-20100044654-A1 Flame Retardant Composition and Hydrolysis-Susceptible Resin Containing Same ICL-IP AMERICA INC. 2010-02-25 US disclosed
EP-1945711-A1 FLAME RETARDANT COMPOSITION AND HYDROLYSIS-SUSCEPTIBLE RESIN CONTAINING SAME Supresta LLC (US) 2008-07-23 EP disclosed
WO-2007056456-A1 FLAME RETARDANT COMPOSITION AND HYDROLYSIS-SUSCEPTIBLE RESIN CONTAINING SAME SUPRESTA LLC (US) 2007-05-18 WO disclosed
US-4102859-A PHOSPHOROUS ACID ESTERS WITH OXETANE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed
US-3881030-A 2,2-Diphenyl-3,3-dimethyloxetone insecticides COMMW SCIENT IND RES ORG 1975-04-29 US disclosed