SCHEMBL3241555

SCHEMBL3241555

COCCC(=CC#N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.43
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3241550 1.00 APEX1 (0.43) APEX1ALDH1A1
SCHEMBL1275037 0.90 APEX1 (0.36) APEX1ALDH1A1
SCHEMBL1275372 0.87 ALDH1A1 (0.37) APEX1ALDH1A1
SCHEMBL1275405 0.83 ALDH1A1 (0.37) APEX1ALDH1A1
SCHEMBL1275055 0.83 ALDH1A1 (0.33) APEX1ALDH1A1
SCHEMBL1275042 0.82 ALDH1A1 (0.40) APEX1ALDH1A1
SCHEMBL18486877 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5262279 0.80 KDM4E (0.30)
SCHEMBL5262281 0.80 KDM4E (0.30)
SCHEMBL21525715 0.80 GAA (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
WO-2010029134-A1 TOUGHENED CYANOACRYLATE COMPOSITIONS LOCTITE (R&D) LIMITED (IE) 2010-03-18 WO disclosed