SCHEMBL6695830

SCHEMBL6695830

O=S(=O)(O)CCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.61
PTGS1 P23219 1/20 0.50
PDE4A P27815 1/20 0.50
LMNA P02545 1/20 0.50
SLC6A6 P31641 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
EPHX2 P34913 1/20 0.41
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
FAAH O00519 2/20 0.35
TSHR P16473 2/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
NT5E P21589 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1271285 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL563101 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL28813930 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL1270769 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL922126 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL563945 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL1270542 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL6692218 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL1270406 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL1270555 1.00 APP (0.61) APPPTGS1PDE4ALMNASLC6A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096977-A2 CRYSTAL STRUCTURE OF HOMO SAPIENS ADIPOCYTE LIPID BINDING PROTEIN AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-11 WO claimed
US-20040219653-A1 Crystal structure of homo sapiens adipocyte lipid binbing protein and uses thereof PFIZER INC 2004-11-04 US claimed
WO-2004096977-A2 CRYSTAL STRUCTURE OF HOMO SAPIENS ADIPOCYTE LIPID BINDING PROTEIN AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040219653-A1 Crystal structure of homo sapiens adipocyte lipid binbing protein and uses thereof PFIZER INC 2004-11-04 US disclosed