SCHEMBL11237895

SCHEMBL11237895

O=S(=O)(O)CCCN(CCS(=O)(=O)O)C(CO)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL11141037 0.92 ALDH1A1 (0.41) APPALDH1A1PTGS1PDE4ALMNA
SCHEMBL11150368 0.90 ALDH1A1 (0.35) APPALDH1A1PTGS1PDE4A
SCHEMBL11234467 0.90 APP (0.35) APPALDH1A1PTGS1PDE4A
SCHEMBL11146259 0.86 ALDH1A1 (0.38) ALDH1A1PTGS1PDE4ALMNASLC6A6
SCHEMBL11242629 0.79 APP (0.39) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL26914662 0.78 APP (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL11238646 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23268448 0.77 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26137910 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11138733 0.74 PTGS1 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322324-A Ampho-ionic group-containing alkyd resins NIPPON PAINT CO., LTD. (JP) 1982-03-30 US disclosed