SCHEMBL3517017

SCHEMBL3517017

CC(C)OC(=O)/C=C/C(=O)OCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.50
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRM3 P20309 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
DNM1 Q05193 1/20 0.38
XPO1 O14980 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL4412330 0.87 CHRM2 (0.58) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL3134075 0.87 CHRM2 (0.58) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5540497 0.87 CHRM2 (0.58) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18406339 0.86 HCAR2 (0.47) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18364205 0.83 HCAR2 (0.44) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18406358 0.83 HCAR2 (0.44) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18406351 0.82 HCAR2 (0.43) HCAR2CHRNB2CHRNA4ALDH1A1ATM
SCHEMBL18353127 0.82 CHRNB2 (0.42) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18405675 0.81 HCAR2 (0.42) HCAR2ALDH1A1ATMCA12CA1
SCHEMBL18406355 0.81 HCAR2 (0.42) HCAR2CHRNB2CHRNA4ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed