SCHEMBL6823892

SCHEMBL6823892

O=C(O)C=Cc1cccc([N+](=O)[O-])c1CO.O=C(O)C=Cc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ERN1 O75460 1/20 0.51
MAOB P27338 1/20 0.46
GPR35 Q9HC97 1/20 0.45
BACE1 P56817 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL5595848 0.93 MAPT (0.68) MAPTERN1MAOBBACE1KMT2A
SCHEMBL5595852 0.93 MAPT (0.68) MAPTERN1MAOBBACE1KMT2A
SCHEMBL5595855 0.93 MAPT (0.68) MAPTERN1MAOBBACE1KMT2A
SCHEMBL6785545 0.89 MAPT (0.73) MAPTERN1MAOBGPR35BACE1
SCHEMBL5595081 0.89 MAPT (0.73) MAPTERN1MAOBGPR35BACE1
SCHEMBL5595086 0.89 MAPT (0.73) MAPTERN1MAOBGPR35BACE1
SCHEMBL6823884 0.84 MAPT (0.53) MAPTERN1MAOBBACE1KMT2A
SCHEMBL6823888 0.84 MAPT (0.53) MAPTERN1MAOBBACE1KMT2A
O-Coumaric Acid SCHEMBL6824137 0.83 MAPT (0.68) MAPTERN1MAOBGPR35BACE1
O-Coumaric Acid SCHEMBL6824128 0.83 MAPT (0.68) MAPTERN1MAOBGPR35BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed