SCHEMBL11237951

SCHEMBL11237951

O=S(=O)(O)CCCN(CCO)CCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAD52 P43351 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8108004 0.96 APP (0.42) APPLMNABLMPTGS1PDE4A
SCHEMBL3684287 0.93 APP (0.41) APPLMNABLMPTGS1PDE4A
SCHEMBL22056603 0.91 APP (0.34) APPLMNABLMPTGS1PDE4A
SCHEMBL28646235 0.91 APP (0.39) APPLMNABLMPTGS1PDE4A
SCHEMBL7622762 0.91 PTGS1 (0.38) APPLMNABLMPTGS1PDE4A
SCHEMBL99322 0.91 PTGS1 (0.38) APPLMNABLMPTGS1PDE4A
Potassium SCHEMBL31013623 0.89 APP (0.38) APPLMNABLMPTGS1PDE4A
SCHEMBL739439 0.89 APP (0.41) APPLMNABLMPTGS1PDE4A
SCHEMBL9898850 0.89 PTGS1 (0.36) APPLMNABLMPTGS1PDE4A
Hydrochloric Acid SCHEMBL1336339 0.89 PTGS1 (0.36) APPLMNABLMPTGS1PDE4A

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