SCHEMBL14686407

SCHEMBL14686407

CCN(CO)CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.38
PAOX Q6QHF9 1/20 0.33
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
EPHX2 P34913 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
SCHEMBL918207 0.89 NPSR1 (0.50) NPSR1APPPAOXPTGS1PDE4A
SCHEMBL2185541 0.87 NPSR1 (0.44) NPSR1APPPAOXPTGS1PDE4A
Water SCHEMBL21295559 0.87 NPSR1 (0.48) NPSR1APPPAOXPTGS1PDE4A
SCHEMBL23541956 0.87 APP (0.44) NPSR1APPPTGS1PDE4ALMNA
SCHEMBL26140963 0.86 APP (0.37) NPSR1APPPTGS1PDE4ALMNA
SCHEMBL17833359 0.83 NPSR1 (0.42) NPSR1APPPAOXPTGS1PDE4A
SCHEMBL15345862 0.83 NPSR1 (0.48) NPSR1APPPAOXPTGS1PDE4A
Sulfuric Acid SCHEMBL29054619 0.81 NPSR1 (0.52) NPSR1APPPAOXPTGS1PDE4A
SCHEMBL27938410 0.81 NPSR1 (0.47) NPSR1APPPAOXLMNAEPHX2
Eprodisate SCHEMBL23795566 0.80 APP (0.46) NPSR1APPPAOXPTGS1PDE4A

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-2555918-A1 STABILIZED CHEMICAL DEHYDRATION OF BIOLOGICAL MATERIAL GENVAULT CORPORATION (US) 2013-02-13 EP disclosed