SCHEMBL92136

SCHEMBL92136

CC(C)C(=O)OCCNC(=O)OCF

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL92124 0.87 CHRNB2 (0.45) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25665600 0.82 EPHX1 (0.44) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12523122 0.80 MAPK1 (0.44) TSHRMAPK1MEN1KMT2AL3MBTL1
SCHEMBL85847 0.80 ACHE (0.36) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12385783 0.78 ALDH1A1 (0.43) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19343428 0.78 ACHE (0.40) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13336620 0.77 ACHE (0.49) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20800956 0.76 MEN1 (0.51) MEN1KMT2A
SCHEMBL85848 0.76 CYP2D6 (0.43) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14493157 0.76 KMT2A (0.48) TSHRMAPK1HTTMEN1KMT2A

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