SCHEMBL85847

SCHEMBL85847

CC(C)C(=O)OCCNC(=O)OCC(O)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL92136 0.80 ACHE (0.40) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL85834 0.78 THRB (0.40) ACHELMNAHTTTSHRSMN1; SMN2
SCHEMBL92124 0.78 CHRNB2 (0.45) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25665600 0.77 EPHX1 (0.44) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19356088 0.75 CHRNB2 (0.41) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20800956 0.75 MEN1 (0.51) MEN1KMT2A
SCHEMBL23056273 0.74 ACHE (0.45) ACHELMNAMEN1KMT2A
SCHEMBL12385783 0.73 ALDH1A1 (0.43) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13336620 0.72 ACHE (0.49) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24451569 0.72 THRB (0.43) CHRNB2CHRNB4CHRNA3CHRNA4TSHR

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