SCHEMBL2230171

SCHEMBL2230171

COC(=O)C(CC(=O)N(C)C)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.30
MME P08473 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2230116 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10KMT2A
SCHEMBL25457592 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MMEKMT2A
SCHEMBL446634 0.77 MGAM (0.42) SMN1; SMN2ALDH1A1MMEHSD17B10KMT2A
SCHEMBL9346762 0.77 KMT2A (0.36) SMN1; SMN2ALDH1A1MMELMNAKMT2A
SCHEMBL222338 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MMELMNAHSD17B10
SCHEMBL12877143 0.76 GAA (0.48) ALDH1A1LMNAHSD17B10KMT2A
SCHEMBL684579 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MMEKMT2A
SCHEMBL4144659 0.75 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MMEKMT2A
SCHEMBL23804658 0.75 ESRRB (0.37) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7712990 0.75 ESRRB (0.37) SMN1; SMN2ALDH1A1KMT2A

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
WO-2011090323-A2 NOVEL PREPARATION METHOD OF 2-(2-N-BUTYL-4-HYDROXY-6-METHYL-PYRIMIDIN-5-YL)-N,N-DIMETHYLACETAMIDE BORYUNG PHARMACEUTICAL CO., LTD (KR) 2011-07-28 WO disclosed