SCHEMBL9107826

SCHEMBL9107826

C[N+](C)(CC[S-])CCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.39
APP P05067 1/20 0.38
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
HTT P42858 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
SCHEMBL918271 0.89 BBOX1 (0.46) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL22006989 0.85 BBOX1 (0.43) BBOX1APPPTGS1PDE4AHTT
SCHEMBL1864397 0.81 DNM1 (0.48) BBOX1APPLMNAHTT
SCHEMBL15382997 0.81 DNM1 (0.50) BBOX1APPLMNAHTT
SCHEMBL352054 0.81 DNM1 (0.48) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL13978757 0.80 BBOX1 (0.37) BBOX1APP
SCHEMBL15809578 0.79 BBOX1 (0.39) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL9889324 0.79 PTGS1 (0.46) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL15380501 0.79 APP (0.54) BBOX1APPPTGS1PDE4ALMNA
Water SCHEMBL16968732 0.79 DNM1 (0.47) BBOX1APPPTGS1PDE4ALMNA

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
US-20120141797-A1 Zwitterion-Linker Coatings for Nano-objects in Solutions of Multivalent Counterions BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2012-06-07 US claimed
US-20120141797-A1 Zwitterion-Linker Coatings for Nano-objects in Solutions of Multivalent Counterions BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2012-06-07 US disclosed