SCHEMBL19647550

SCHEMBL19647550

CC1(C)OCC(COc2cccc(C=O)c2BOC(C)(C)C(C)(C)P)CO1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL27969814 0.77 ALDH1A1 (0.51) APPALDH1A1
SCHEMBL3446578 0.76 APP (0.40) APPALDH1A1
SCHEMBL13035573 0.71 APP (0.37) APPALDH1A1
SCHEMBL21305428 0.69 PTGDR2 (0.49) APPALDH1A1
SCHEMBL3445782 0.68 APP (0.34) APPALDH1A1
SCHEMBL13983332 0.65
SCHEMBL5307075 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4790647 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL5307972 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL21305405 0.60 ALDH1A1 (0.42) APPALDH1A1

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
EP-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 EP disclosed