SCHEMBL13637008

SCHEMBL13637008

C/C(=C/NCC(=O)O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTH P32929 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL476570 0.77
SCHEMBL31378229 0.74
SCHEMBL5027096 0.74 ADH1B (0.41)
SCHEMBL2354556 0.74 ADH1B (0.41)
SCHEMBL7069815 0.73
Sarcosine SCHEMBL2181286 0.72 CTH (0.34) CTH
SCHEMBL11963780 0.72 TSHR (0.35) ALDH1A1SMN1; SMN2
SCHEMBL21985272 0.72 ALDH1A1 (0.44) ALDH1A1CYP2D6SMN1; SMN2CTH
SCHEMBL589664 0.72 TSHR (0.35) ALDH1A1SMN1; SMN2
SCHEMBL16271960 0.71 PTGS1 (0.30)

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-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed