SCHEMBL513625

SCHEMBL513625

[O]C(=O)CCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A6 P31641 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
APEX1 P27695 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL514225 0.92 APP (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL514218 0.90 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL512766 0.90 APP (0.44) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL513632 0.82
SCHEMBL513001 0.78 LMNA (0.53) APPLMNABLMAPEX1
SCHEMBL177559 0.78 APP (0.55) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL177845 0.76 APP (0.52) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL2516913 0.76 LMNA (0.50) APPLMNABLMAPEX1
SCHEMBL10480105 0.76 ALDH1A1 (0.46) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL2524491 0.76 LMNA (0.50) APPLMNABLMAPEX1

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-8758777-B2 Pharmaceutical compositions comprising water-soluble sulfonate-protected nanoparticles and uses thereof BAR-ILAN UNIVERSITY (IL) 2014-06-24 US disclosed
US-20120027809-A1 Pharmaceutical compositions comprising water-soluble sulfonate-protected nanoparticles and uses thereof BAR-LLAN UNIVERSITY (IL) 2012-02-02 US disclosed