SCHEMBL28060047

SCHEMBL28060047

CC(C)(OC(N)=O)C(CCN)CCNC(=O)OCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
ACHE P22303 13/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL27900266 0.77 SLC1A3 (0.50)
SCHEMBL6946858 0.73 ACHE (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
Hydrochloric Acid SCHEMBL8741737 0.72 TDP1 (0.43) ACHEMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL6837623 0.72 ACHE (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL27896302 0.72 GABRR1 (0.32)
SCHEMBL24587789 0.71 ACHE (0.52) ACHE
SCHEMBL25488667 0.68 ACHE (0.50) ACHE
SCHEMBL28060050 0.68 ACHE (0.33) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL2191691 0.67 CA14 (0.40) ACHEMEN1GAAKMT2A
SCHEMBL15625012 0.66 ACHE (0.42) 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
CN-102821602-B Fatty Acid Fumarate Derivative and uses thereof CATABASIS PHARMACEUTICALS, INC. (US) 2016-04-20 CN disclosed