SCHEMBL3471203

SCHEMBL3471203

CC1OC(c2ccccc2)(c2ccccc2)C1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM5 P08912 2/20 0.34
OPRL1 P41146 2/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 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
SCHEMBL6129709 0.78 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL63455 0.78 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL12451142 0.71 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL26824003 0.69 CYP3A4 (0.38) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL27890860 0.69 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL8845724 0.67 OPRM1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL9721224 0.67 ALDH1A1 (0.38) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL2763759 0.67 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL28366383 0.67 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL2763761 0.67 CHRNB2 (0.39) OPRL1CHRNB2SLC6A2CHRNB4CHRNA3

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 5 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