SCHEMBL11110109

SCHEMBL11110109

C=CCN(OCC)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL11105630 0.84 HCAR2 (0.37) ALDH1A1MAPTHCAR2TSHR
SCHEMBL11036842 0.83 MAPT (0.35) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL11107395 0.83 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL11111063 0.80 HCAR2 (0.42) ALDH1A1HCAR2TSHR
SCHEMBL11038420 0.78
SCHEMBL11113849 0.77 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL8630003 0.77 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL17688550 0.76
SCHEMBL28674070 0.75
SCHEMBL11116449 0.74 TSHR (0.47) ALDH1A1HSD17B10MEN1KMT2ATSHR

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-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed