SCHEMBL3398263

SCHEMBL3398263

CCCCC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
TGM2 P21980 1/20 0.48
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
PDF Q9HBH1 1/20 0.44
MAPT P10636 4/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CA2 P00918 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL27677380 0.88 MGLL (0.49) MGLLBCL9CTNNB1TGM2PPARG
SCHEMBL30544863 0.87 TGM2 (0.50) MGLLBCL9CTNNB1TGM2PPARG
SCHEMBL26915268 0.85 FOLH1 (0.50) MGLLBCL9CTNNB1TGM2PPARG
SCHEMBL8477195 0.85 FOLH1 (0.50) MGLLBCL9CTNNB1TGM2PPARG
SCHEMBL14996322 0.84 MGLL (0.63) MGLLBCL9CTNNB1ALDH1A1GAA
SCHEMBL16762227 0.84 MGLL (0.63) MGLLBCL9CTNNB1ALDH1A1GAA
SCHEMBL11145406 0.83 TGM2 (0.68) TGM2
SCHEMBL11139544 0.83 TGM2 (0.68) TGM2
SCHEMBL11139545 0.83 TGM2 (0.68) TGM2
SCHEMBL7488389 0.83 MGLL (0.56) MGLLBCL9CTNNB1TGM2ALDH1A1

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-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO disclosed