SCHEMBL5149165

SCHEMBL5149165

CCOC(=O)CC(NOC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
MMP8 P22894 1/20 0.47
KMT2A Q03164 2/20 0.45
F2 P00734 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL1144389 0.82 KMT2A (0.52) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL28647877 0.82 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL1144506 0.82 KMT2A (0.52) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL8121589 0.82 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL1405716 0.82 KMT2A (0.52) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL4246122 0.81 LMNA (0.49) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL4242162 0.81 LMNA (0.49) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL16268748 0.81 LMNA (0.51) ALDH1A1TSHRLMNAMMP8CYP3A4
SCHEMBL6270165 0.81 LMNA (0.46) ALDH1A1TSHRLMNAMMP8KMT2A
SCHEMBL4851330 0.79 PPID (0.52) ALDH1A1TSHRLMNAMMP8KMT2A

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-1862446-A2 Method for manufacturing enantiomer-enriched hydroxylamine derivatives Evonik Degussa GmbH (DE) 2007-12-05 EP disclosed