SCHEMBL11267862

SCHEMBL11267862

O=C1CC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
ADORA3 P0DMS8 3/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP19A1 P11511 2/20 0.62
AR P10275 2/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
AXL P30530 1/20 0.49
HSD11B1 P28845 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL11267867 1.00 MAOB (0.62) MAOBADORA3KDM4ECYP19A1AR
SCHEMBL4374182 0.85 AR (0.67) MAOBADORA3KDM4ECYP19A1AR
SCHEMBL14053278 0.83 NPC1 (0.72) MAOBADORA3KDM4ECYP19A1AR
SCHEMBL14053279 0.83 NPC1 (0.72) MAOBADORA3KDM4ECYP19A1AR
Flavanone SCHEMBL29470801 0.78 MAOB (1.00) MAOBADORA3KDM4ECYP19A1AR
Flavanone SCHEMBL12660199 0.78 MAOB (1.00) MAOBADORA3KDM4ECYP19A1AR
Flavanone SCHEMBL12189591 0.78 MAOB (1.00) MAOBADORA3KDM4ECYP19A1AR
Flavanone SCHEMBL19745 0.78 MAOB (1.00) MAOBADORA3KDM4ECYP19A1AR
Flavanone SCHEMBL29843289 0.78 MAOB (1.00) MAOBADORA3KDM4ECYP19A1AR
SCHEMBL25406713 0.78 MAOB (0.69) MAOBADORA3KDM4ECYP19A1AR

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-0025161-B1 3-METHYLENE FLAVANONES AND 3-METHYLENE CHROMANONES, ANTIMICROBIAL COMPOSITION CONTAINING SAME AND METHOD OF INHIBITING THE GROWTH OF MICROORGANISMS MILES LABORATORIES, INC. (US) 1982-06-09 EP disclosed
EP-0025161-A1 3-Methylene flavanones and 3-methylene chromanones, antimicrobial composition containing same and method of inhibiting the growth of microorganisms MILES LABORATORIES, INC. (US) 1981-03-18 EP disclosed
US-4241069-A MICROBIOCIDES MILES LABORATORIES, INC. (US) 1980-12-23 US disclosed