SCHEMBL8501812

SCHEMBL8501812

CO[Si](OC)(OC)O[Si](CCCOC(N)=O)(O[Si](OC)(OC)OC)O[Si](OC)(OC)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
LMNA P02545 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA7 P36544 1/20 0.37
ALOX15 P16050 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
GLA P06280 1/20 0.30

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
SCHEMBL113819 0.85 LMNA (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8503585 0.83 ALOX15 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8501219 0.81 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20544363 0.79 LMNA (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10413660 0.78 TSHR (0.49) TSHR
SCHEMBL598736 0.78 TSHR (0.52) TSHR
SCHEMBL2700446 0.76 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5186806 0.74 ALOX15 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3770946 0.73 TSHR (0.50) TSHR
SCHEMBL13007294 0.73 TSHR (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886205-A Process for producing silicon-containing isocyanate compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed