SCHEMBL8093300

SCHEMBL8093300

Cc1ccccc1[C@H]1CC(=O)c2ccccc2O1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.68
AR P10275 3/20 0.68
HSD11B1 P28845 1/20 0.68
AKR1C3 P42330 1/20 0.68
MAOB P27338 7/20 0.64
CYP19A1 P11511 2/20 0.64
KDM4E B2RXH2 2/20 0.64
HSD17B10 Q99714 2/20 0.64
AXL P30530 1/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 3/20 0.56
CYP3A4 P08684 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 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
SCHEMBL8093292 1.00 ADORA3 (0.68) ADORA3ARHSD11B1AKR1C3MAOB
SCHEMBL14759262 0.83 AR (0.73) ADORA3ARHSD11B1AKR1C3MAOB
SCHEMBL1891291 0.81 AR (0.68) ADORA3ARHSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL29661236 0.81 AR (1.00) ADORA3ARHSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL128289 0.81 AR (1.00) ADORA3ARHSD11B1AKR1C3MAOB
2'-Hydroxy-Flavanone SCHEMBL128288 0.81 AR (1.00) ADORA3ARHSD11B1AKR1C3MAOB
SCHEMBL1891296 0.81 AR (0.68) ADORA3ARHSD11B1AKR1C3MAOB
SCHEMBL8093207 0.81 CYP19A1 (0.74) ADORA3ARHSD11B1AKR1C3MAOB
SCHEMBL8093202 0.81 CYP19A1 (0.74) ADORA3ARHSD11B1AKR1C3MAOB
SCHEMBL16011978 0.80 AR (0.57) ADORA3ARHSD11B1AKR1C3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046231-A ADMINISTERING A SUFFICIENT AMOUNT OF A CANCER CHEMOPREVENTATIVE COMPOSITION COMPRISING 4'-BROMOFLAVONE TO A MAMMAL IN NEED TO PREVENT, DELAY OR REVERSE A CANCER SENSITIVE TO 4'-BROMOFLAVONE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-04 US disclosed