SCHEMBL514218

SCHEMBL514218

[O]C(=O)CCCCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
EPHX2 P34913 1/20 0.37
LMNA P02545 2/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL512766 1.00 APP (0.44) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL514225 0.97 APP (0.46) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL513625 0.90 APP (0.48) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL20894935 0.82 APP (0.46) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL11412504 0.81 APP (0.41) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL1270406 0.81 APP (0.61) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL6692218 0.81 APP (0.61) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL1270542 0.81 APP (0.61) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL1270769 0.81 APP (0.61) APPEPHX2LMNAPTGS1PDE4A
SCHEMBL563101 0.81 APP (0.61) APPEPHX2LMNAPTGS1PDE4A

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