SCHEMBL8519961

SCHEMBL8519961

O=S(=O)(O)CCOCCC(O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
APP P05067 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
SCHEMBL7035970 0.98 PTGS1 (0.37) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL418534 0.83 PTGS1 (0.53) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL7869938 0.80 PTGS1 (0.50) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL28038731 0.80 PTGS1 (0.50) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL7945935 0.78 ENPEP (0.39) LMNA
SCHEMBL170480 0.77 TSHR (0.35)
SCHEMBL8153124 0.77 PTGS1 (0.34) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL7748915 0.77 PTGS1 (0.34) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL27026944 0.76 PTGS1 (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1819524 0.75

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
EP-0929634-A2 ALKOXYLATED, QUATERNIZED POLYAMINE DETERGENT INGREDIENTS THE PROCTER & GAMBLE COMPANY (US) 1999-07-21 EP disclosed
WO-1998015608-A2 ALKOXYLATED, QUATERNIZED POLYAMINE DETERGENT INGREDIENTS THE PROCTER & GAMBLE COMPANY (US) 1998-04-16 WO disclosed