SCHEMBL28003454

SCHEMBL28003454

CC(=O)OC(C)(C)C/N=C/CC(C)(C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL28817543 0.80 GAA (0.32) GAA
SCHEMBL28817545 0.73 GAA (0.31) GAA
SCHEMBL28817544 0.73 GAA (0.38) GAA
SCHEMBL2152321 0.71 CYP2D6 (0.33)
SCHEMBL12869155 0.64 GAA (0.43) GAA
SCHEMBL18951842 0.63 GAA (0.39) GAA
SCHEMBL5804465 0.62 GAA (0.41) GAA
SCHEMBL7566118 0.62 GAA (0.41) GAA
SCHEMBL1107368 0.62 GAA (0.44) GAA
SCHEMBL10456471 0.62 GAA (0.50) GAA

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-102159207-B Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2015-02-04 CN disclosed