SCHEMBL86233

SCHEMBL86233

CNC(=O)OCC(O)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
NFKB1 P19838 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRNA7 P36544 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
EPHX1 P07099 1/20 0.41
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL965595 0.84 HTT (0.48) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL28212012 0.82 HTT (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL17035462 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14330807 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL20501494 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12845027 0.78 MAPK1 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL19697164 0.77 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL6497498 0.76 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18736915 0.76 CHRNB2 (0.45) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12994501 0.75 CHRNB2 (0.37) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-8128393-B2 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. (US) 2012-03-06 US disclosed
US-20080131692-A1 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. 2008-06-05 US disclosed