SCHEMBL11246346

SCHEMBL11246346

O=C1CC(c2cccc(Cl)c2)Oc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.69
ADORA3 P0DMS8 3/20 0.69
AR P10275 3/20 0.69
CYP19A1 P11511 2/20 0.69
KDM4E B2RXH2 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 2/20 0.61
CYP3A4 P08684 1/20 0.61
MAPK1 P28482 1/20 0.61
GUSB P08236 2/20 0.58
HSD11B1 P28845 1/20 0.54
AKR1C3 P42330 1/20 0.54
AXL P30530 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
SCHEMBL11246350 1.00 MAOB (0.69) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL11049084 0.85 MAOB (0.79) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL11049080 0.85 MAOB (0.79) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL1825322 0.83 AR (0.58) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL7958698 0.83 AR (0.52) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL4366347 0.83 AR (0.73) MAOBADORA3ARCYP19A1NPC1
SCHEMBL11257429 0.83 AR (0.61) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL12189591 0.82 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL29470801 0.82 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E
Flavanone SCHEMBL19745 0.82 MAOB (1.00) MAOBADORA3ARCYP19A1KDM4E

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