SCHEMBL7517488

SCHEMBL7517488

CC1(C)CC(N(C=O)CCCO)CC(C)(C)N1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.39
ADH1C P00326 2/20 0.39
ADH4 P08319 1/20 0.39
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 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
SCHEMBL757255 0.90 ADH1A (0.49) ADH1AADH1CADH4ALDH1A1ALOX15
SCHEMBL7514818 0.88 ADH1A (0.39) ADH1AADH1CADH4
SCHEMBL4408989 0.88 ADH1A (0.50) ADH1AADH1CADH4ALDH1A1ALOX15
SCHEMBL7518630 0.79 ADH1A (0.40) ADH1AADH1CADH4ALOX15GAA
SCHEMBL13508246 0.76 ADH1A (0.50) ADH1AADH1CADH4
SCHEMBL1276729 0.76 ADH1A (0.50) ADH1AADH1CADH4
SCHEMBL4094256 0.75 ADH1A (0.42) ADH1AADH1CADH4ALOX15GAA
SCHEMBL4096853 0.73 ADH1A (0.51) ADH1AADH1CADH4
SCHEMBL6341384 0.72 ADH1A (0.50) ADH1AADH1CADH4
SCHEMBL4099343 0.72 ADH1A (0.58) ADH1AADH1CADH4

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-0815082-B1 4-ACYLAMINO PIPERIDIN-N-OXYLS BASF AG (DE) 2002-01-16 EP claimed