SCHEMBL16915092

SCHEMBL16915092

NCCCC[C@H](NC(=O)OC1CC/C=C\CCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
FOLH1 Q04609 1/20 0.43
CPB2 Q96IY4 16/20 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
SCHEMBL16915094 1.00 HDAC4 (0.44) HDAC4HDAC1FOLH1CPB2
SCHEMBL28263995 0.90 HDAC4 (0.52) HDAC4HDAC1FOLH1CPB2
SCHEMBL454654 0.90 HDAC4 (0.52) HDAC4HDAC1FOLH1CPB2
SCHEMBL16915024 0.88 CPB2 (0.43) HDAC4HDAC1FOLH1CPB2
SCHEMBL16915025 0.88 CPB2 (0.43) HDAC4HDAC1FOLH1CPB2
SCHEMBL18285377 0.80 CPB2 (0.45) FOLH1CPB2
SCHEMBL16915145 0.80 CPB2 (0.45) FOLH1CPB2
SCHEMBL16915146 0.80 CPB2 (0.45) FOLH1CPB2
SCHEMBL15509299 0.78 KLK7 (0.43) HDAC4HDAC1
SCHEMBL23519105 0.77 HDAC4 (0.37) HDAC4HDAC1CPB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094977-A1 MULTIPLE CYCLOADDITION REACTIONS FOR LABELING OF MOLECULES European Molecular Biology Laboratory (DE) 2016-11-23 EP disclosed
WO-2015107064-A1 MULTIPLE CYCLOADDITION REACTIONS FOR LABELING OF MOLECULES EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2015-07-23 WO disclosed