SCHEMBL11244308

SCHEMBL11244308

CCC([N+](CCO)(CCO)CCO)S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
MMP2 P08253 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 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
Betaine SCHEMBL11248858 0.85 TSHR (0.44)
SCHEMBL4603959 0.81 MEN1 (0.32) PSMD14PLA2G1BMMP2RAD52ATG4B
SCHEMBL29506652 0.78 SLC22A1 (0.39)
SCHEMBL11300117 0.73 MEN1 (0.31)
SCHEMBL28610600 0.68
SCHEMBL28913757 0.68
Sulfuric Acid SCHEMBL28982253 0.67 MEN1 (0.35)
Water SCHEMBL28051651 0.67
Sulfuric Acid SCHEMBL15822421 0.66 MEN1 (0.43) PSMD14PLA2G1BMMP2RAD52ATG4B
SCHEMBL28072489 0.64

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 claimed