SCHEMBL342003

SCHEMBL342003

C=C(C(=O)OC)N(C)CC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL19624168 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AEGLN1
SCHEMBL10689830 0.79 ALDH1A1 (0.44) ALDH1A1TET2MEN1KMT2AEGLN1
SCHEMBL27800400 0.78 KDM5A (0.40) ALDH1A1
SCHEMBL27835939 0.77 TSHR (0.40) ALDH1A1
SCHEMBL4800733 0.75
SCHEMBL6247510 0.75
SCHEMBL22435396 0.74 ALDH1A1 (0.39) ALDH1A1
N,N-Dimethylethanaminium SCHEMBL6741416 0.73 ALDH1A1 (0.68) ALDH1A1TET2MEN1KMT2AEGLN1
SCHEMBL25614083 0.73 ALDH1A1 (0.32) ALDH1A1TET2MEN1KMT2AEGLN1
SCHEMBL22918815 0.71 ALDH1A1 (0.46) ALDH1A1

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-2428586-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods Biotium Inc. (US) 2012-03-14 EP disclosed