SCHEMBL28488407

SCHEMBL28488407

CC(C)(C)OC(=O)N1CCCCC1(C=O)CCCCl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.35
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
CTSK P43235 1/20 0.33
HPGD P15428 1/20 0.32
NAMPT P43490 2/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28149260 0.92 JAK3 (0.36) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL28149295 0.87 CTSK (0.35) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL442628 0.85 GRIN2B (0.36) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL25255216 0.83 GRIN2B (0.38) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL24112802 0.82 HPGD (0.34) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL444287 0.82 GRIN2B (0.37) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL27092800 0.79 GRIN2B (0.39) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL28498279 0.79 JAK3 (0.35) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL28717926 0.77 JAK3 (0.34) JAK3GRIN2BGRIN2CCTSKHPGD
SCHEMBL27219428 0.76 GRIN2B (0.37) JAK3GRIN2BGRIN2CCTSKHPGD

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-106883238-B Preparation method of alpha-azaspiro compound 贵州医科大学 2020-12-18 CN disclosed