SCHEMBL3239231

SCHEMBL3239231

O=C(O)CC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.35

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
SCHEMBL3232094 1.00 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL398591 0.88 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL636113 0.88 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL398399 0.88 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL13216744 0.83 PTGS1 (0.37) PTGS2PTGS1
SCHEMBL3236736 0.81 PTGS1 (0.32) PTGS2PTGS1
SCHEMBL23927587 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL13685896 0.81 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL13863668 0.81 TSHR (0.41) PTGS2PTGS1
SCHEMBL5183160 0.78 PTGS2 (0.35) PTGS2PTGS1

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
WO-2010015447-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-02-11 WO disclosed