SCHEMBL20399337

SCHEMBL20399337

CC(C)(C)OC(=O)N1CCCC[C@@]1(C)CO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
JAK3 P52333 2/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 1/20 0.35
PREP P48147 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL21530335 1.00 CTSK (0.39) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL21530334 1.00 CTSK (0.39) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL705582 0.95 GRIN2B (0.41) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL15425362 0.95 GRIN2B (0.41) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL8950858 0.95 GRIN2B (0.41) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL27092775 0.89 CTSK (0.38) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL17818932 0.89 USP2 (0.39) CTSKGRIN2BGRIN2CHPGDUSP2
SCHEMBL27092782 0.84 GRIN2B (0.40) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL12424303 0.84 GRIN2B (0.41) CTSKGRIN2BGRIN2CJAK3HPGD
SCHEMBL10202327 0.84 GRIN2B (0.41) CTSKGRIN2BGRIN2CJAK3HPGD

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
WO-2018136401-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-07-26 WO disclosed