SCHEMBL92124

SCHEMBL92124

CC(C)C(=O)OCCNC(=O)OCCF

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
ACHE P22303 14/20 0.43

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
SCHEMBL92136 0.87 ACHE (0.40) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL4678267 0.82
SCHEMBL25665600 0.81 EPHX1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL871736 0.79 ACHE (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13336620 0.79 ACHE (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Iodide SCHEMBL9416057 0.79 ACHE (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL22609108 0.78 ACHE (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL85847 0.78 ACHE (0.36) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL18432268 0.78 ACHE (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL12223304 0.77 ACHE (0.59) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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