SCHEMBL28677191

SCHEMBL28677191

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSS P25774 9/20 0.34
CTSK P43235 9/20 0.34
TSHR P16473 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
SLC1A2 P43004 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL28930153 0.94 MEN1 (0.37) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL10476491 0.83 MEN1 (0.37) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL27790092 0.83 MEN1 (0.37) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL10012762 0.81 MEN1 (0.36) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL10010638 0.81 MEN1 (0.36) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL10476489 0.81 KDM6B (0.34) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL10010637 0.80 TSHR (0.38) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL10012758 0.80 TSHR (0.42) MEN1KMT2ACTSSCTSKTSHR
SCHEMBL5052011 0.75 CTSK (0.34) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL608106 0.75 CA2 (0.36) MEN1KMT2ATSHRALDH1A1

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-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