SCHEMBL13110286

SCHEMBL13110286

CCOC(=O)[C@H]1CN(B(C)O)C[C@H]1NC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ CAPN9 O14815 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL13110285 0.86 OGA (0.34) GAAMAPTCAPN9ALDH1A1HTT
SCHEMBL10137516 0.80 MAPT (0.34) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL13110289 0.80 PPM1B (0.37) MAPTALDH1A1MEN1KMT2A
SCHEMBL14348076 0.80 MAPT (0.34) GAAMAPTCAPN9ALDH1A1MEN1
SCHEMBL14651109 0.76 ALDH1A1 (0.43) GAAALDH1A1HTT
SCHEMBL14348069 0.76 ALDH1A1 (0.43) GAAALDH1A1HTT
SCHEMBL14348073 0.76 ALDH1A1 (0.43) GAAALDH1A1HTT
SCHEMBL14651075 0.76 ALDH1A1 (0.43) GAAALDH1A1HTT
SCHEMBL12993310 0.75 CPB1 (0.49) GAAALDH1A1
SCHEMBL18202045 0.72 CAPN9 (0.40) GAAMAPTCAPN9ALDH1A1

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
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
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