SCHEMBL4596451

SCHEMBL4596451

CC(C)C[C@@](CO)(NC(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
FPR2 P25090 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4595956 1.00 MMP8 (0.39) MMP8FPR2CYP2D6CYP2C19
SCHEMBL2447756 0.85
SCHEMBL15454398 0.76 CNR2 (0.38) MMP8FPR2CYP2D6CYP2C19
SCHEMBL1692813 0.73 KDM4E (0.31)
SCHEMBL23168321 0.73 CYP2C19 (0.41) MMP8FPR2CYP2D6CYP2C19
SCHEMBL5194246 0.72 PIK3CD (0.34) MMP8CYP2D6CYP2C19
SCHEMBL4594988 0.72 PIK3CD (0.34) MMP8CYP2D6CYP2C19
SCHEMBL4972011 0.72 CHRM5 (0.40) MMP8
SCHEMBL4659547 0.72
SCHEMBL1692666 0.70 KDM4E (0.32)

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
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed