SCHEMBL6824210

SCHEMBL6824210

O=C(O)/C=C/c1ccc([N+](=O)[O-])c(OC(=O)/C=C/c2ccc([N+](=O)[O-])c(CO)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 3/20 0.42
PLA2G4A P47712 1/20 0.42
KDM4E B2RXH2 4/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
SNCA P37840 3/20 0.40

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
SCHEMBL5594757 0.88 PLA2G4A (0.50) AKR1B1KMT2APLA2G4AKDM4EAKR1C3
SCHEMBL5594752 0.88 PLA2G4A (0.50) AKR1B1KMT2APLA2G4AKDM4EAKR1C3
SCHEMBL5594749 0.88 PLA2G4A (0.50) AKR1B1KMT2APLA2G4AKDM4EAKR1C3
SCHEMBL9632184 0.84 TUBB4A (0.40) AKR1B1KMT2AMMP2MMP9NFKB1
SCHEMBL6823440 0.83 MAOA (0.51) AKR1B1KMT2APLA2G4AKDM4EAKR1C3
SCHEMBL6823438 0.83 MAOA (0.51) AKR1B1KMT2APLA2G4AKDM4EAKR1C3
SCHEMBL6824218 0.82 BACE1 (0.50) AKR1B1KMT2APLA2G4AKDM4EAKR1C3
SCHEMBL14931845 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL6026164 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL6026160 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDALOX15MAPK1

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