SCHEMBL3657658

SCHEMBL3657658

O=[N+]([O-])C=Cc1cccc(OCc2ccccc2I)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 12/20 0.69
TLR2 O60603 12/20 0.69
MAOA P21397 10/20 0.69
MAOB P27338 10/20 0.69
FBP1 P09467 1/20 0.56

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
SCHEMBL510222 0.82 MAOA (1.00) TLR4TLR2MAOAMAOB
SCHEMBL510223 0.82 MAOA (1.00) TLR4TLR2MAOAMAOB
SCHEMBL510140 0.78 TLR4 (1.00) TLR4TLR2MAOAMAOB
SCHEMBL510139 0.78 TLR4 (1.00) TLR4TLR2MAOAMAOB
SCHEMBL4619911 0.77 TLR4 (0.70) TLR4TLR2MAOAMAOBFBP1
SCHEMBL4619916 0.77 TLR4 (0.70) TLR4TLR2MAOAMAOBFBP1
SCHEMBL5720900 0.75 TLR4 (0.81) TLR4TLR2MAOAMAOBFBP1
SCHEMBL5720904 0.75 TLR4 (0.81) TLR4TLR2MAOAMAOBFBP1
SCHEMBL510207 0.75 TLR4 (1.00) TLR4TLR2MAOAMAOBFBP1
SCHEMBL510208 0.75 TLR4 (1.00) TLR4TLR2MAOAMAOBFBP1

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-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed