SCHEMBL13345993

SCHEMBL13345993

CCOC(=O)C[C@@H](C(=O)OCC)N(C)C(C)CC1OC[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 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
SCHEMBL16476074 0.87
SCHEMBL13295462 0.80 PRKD3 (0.33) CYP2D6
SCHEMBL13346952 0.78
SCHEMBL24894079 0.74 ALDH1A1 (0.30)
SCHEMBL13345968 0.74
SCHEMBL13346949 0.71 MMP8 (0.37)
SCHEMBL20161659 0.71 MGAM (0.38)
SCHEMBL13345970 0.70 PTGS2 (0.32)
SCHEMBL15900030 0.65 MGAM (0.44) CYP2D6
SCHEMBL13346244 0.65

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-2010063953-A2 NOVEL AMINO C-XYLOSIDE COMPOUNDS, AND COSMETIC USE L'OREAL (FR) 2010-06-10 WO disclosed