SCHEMBL3400684

SCHEMBL3400684

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL2279710 0.94 EPHX2 (0.32) MEN1GAAKMT2A
SCHEMBL397513 0.94 EPHX2 (0.32) MEN1GAAKMT2A
SCHEMBL397512 0.94 EPHX2 (0.32) MEN1GAAKMT2A
SCHEMBL3406214 0.89 CYP2D6 (0.31)
SCHEMBL396281 0.87 LMNA (0.38) TSHRMEN1KMT2A
SCHEMBL397367 0.87 LMNA (0.38) TSHRMEN1KMT2A
SCHEMBL396280 0.87 LMNA (0.38) TSHRMEN1KMT2A
SCHEMBL3406210 0.83
SCHEMBL3032557 0.82 FFAR4 (0.41) TSHR
SCHEMBL3400681 0.80 FOLH1 (0.32)

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-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 WO disclosed