SCHEMBL28683256

SCHEMBL28683256

CC(C)(C)OC(=O)OCCCCC#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 10/20 0.36
CTSS P25774 9/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR2 P34972 2/20 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
SCHEMBL28670405 0.95 MEN1 (0.37) MEN1KMT2ACTSKCTSSCA12
SCHEMBL28667165 0.87 MEN1 (0.39) MEN1KMT2ACTSKCTSSCTSL
SCHEMBL22557957 0.82 MEN1 (0.35) MEN1KMT2A
SCHEMBL29873697 0.82 CA12 (0.45) CA12CA1CA2CA9HDAC1
SCHEMBL21137739 0.81 MEN1 (0.42) MEN1KMT2ACTSKCTSSCTSL
SCHEMBL28670236 0.81 TSHR (0.37) MEN1KMT2A
SCHEMBL28662289 0.81 TSHR (0.37) MEN1KMT2A
SCHEMBL4393654 0.80 HDAC6 (0.40) MEN1KMT2ACA12CA1CA2
SCHEMBL17694457 0.78 MEN1 (0.42) MEN1KMT2ACNR2
SCHEMBL22558078 0.78 TSHR (0.48) CA12CA1CA2CA9

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-20220209301-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2022-06-30 US disclosed
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed