SCHEMBL28855147

SCHEMBL28855147

CCS(=O)(=O)OC(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 5/20 0.43
CA12 O43570 4/20 0.41
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ZDHHC7 Q9NXF8 1/20 0.33
POLB P06746 1/20 0.33
MME P08473 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TSHR P16473 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
SCHEMBL17923978 0.87 CA14 (0.43) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL17923990 0.87 CA14 (0.43) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL17923900 0.83 CA14 (0.41) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL15746546 0.83 CA14 (0.41) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL17923923 0.83 CA14 (0.41) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL28855151 0.83 ALDH1A1 (0.39) CA12CA9CA1CA2KMT2A
SCHEMBL18127550 0.82 CA14 (0.39) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL18127578 0.82 CA14 (0.39) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL17923979 0.82 CA14 (0.39) CA14CA12CA7CA9SMN1; SMN2
SCHEMBL17923992 0.80 CA14 (0.38) CA14CA12CA7CA9SMN1; SMN2

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-114846669-A Nonaqueous electrolyte solution and energy device 三菱化学株式会社 2022-08-02 CN disclosed