SCHEMBL4592982

SCHEMBL4592982

CCOC(=O)/C=C/c1cccc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
PPARG P37231 1/20 0.58
PPARA Q07869 1/20 0.58
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX5 P09917 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
MAOB P27338 2/20 0.54
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL16852753 0.88 KDM4E (0.55) NFE2L2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14501345 0.88 NFE2L2 (0.54) NFE2L2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14143273 0.88 NFE2L2 (0.54) NFE2L2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1884884 0.87 ABCG2 (0.62) NFE2L2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1884886 0.87 ABCG2 (0.62) NFE2L2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4775241 0.87 KDM4E (0.67) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15188 0.87 KDM4E (0.67) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31506312 0.87 KDM4E (0.67) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL13957562 0.87 KDM4E (0.67) NFE2L2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7438631 0.85 NFE2L2 (0.77) NFE2L2L3MBTL1ALDH1A1KMT2AKDM4E

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-1896169-A1 METHOD OF REDUCING THE LEVEL OF NITROGEN OXIDES IN A MEDIUM BY ABSORPTION WITH RESORCIN[4]ARENES British American Tobacco Italia S.p.A. (IT) 2008-03-12 EP disclosed
WO-2006136950-A1 METHOD BRITISH AMERICAN TOBACCO ITALIA S.P.A. (IT) 2006-12-28 WO disclosed