SCHEMBL3400690

SCHEMBL3400690

CCOC(=O)OCCCC[C@@H](C)O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SOAT1 P35610 1/20 0.33
FAAH O00519 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ESR1 P03372 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
SCHEMBL396352 0.94 MAPT (0.34) MAPTCRHBPCRHR2L3MBTL1FAAH
SCHEMBL15135361 0.94 MAPT (0.34) MAPTCRHBPCRHR2L3MBTL1FAAH
SCHEMBL15135362 0.83 PTGS2 (0.35) MAPTCRHBPCRHR2L3MBTL1FAAH
SCHEMBL396354 0.83 PTGS2 (0.35) MAPTCRHBPCRHR2L3MBTL1FAAH
SCHEMBL396353 0.83 PTGS2 (0.35) MAPTCRHBPCRHR2L3MBTL1FAAH
SCHEMBL3404736 0.82 MAPT (0.30) MAPTCRHBPCRHR2FAAHPTGS1
SCHEMBL13000821 0.82 MAPT (0.30) MAPTCRHBPCRHR2FAAHPTGS1
SCHEMBL3400688 0.82 MAPT (0.30) MAPTCRHBPCRHR2PTGS1PTGS2
SCHEMBL13001173 0.82 MAPT (0.30) MAPTCRHBPCRHR2FAAHPTGS1
SCHEMBL13000862 0.82 MAPT (0.30) MAPTCRHBPCRHR2FAAHPTGS1

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