SCHEMBL8106959

SCHEMBL8106959

O=C(C=Cc1ccccc1Br)c1ccccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.75
GUSB P08236 1/20 0.75
MAOB P27338 8/20 0.71
AR P10275 3/20 0.61
HSD11B1 P28845 1/20 0.61
CHRNA7 P36544 3/20 0.60
MAPT P10636 2/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
MAOA P21397 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL8106958 1.00 BCHE (0.75) BCHEGUSBMAOBARHSD11B1
SCHEMBL19781128 0.88 ALDH1A1 (0.68) BCHEGUSBMAOBARHSD11B1
SCHEMBL21083529 0.88 ALDH1A1 (0.68) BCHEGUSBMAOBARHSD11B1
SCHEMBL660339 0.86 BCHE (1.00) BCHEGUSBMAOBARCHRNA7
SCHEMBL130475 0.86 BCHE (1.00) BCHEGUSBMAOBARCHRNA7
SCHEMBL5084965 0.82 AR (0.64) BCHEGUSBMAOBARCHRNA7
SCHEMBL471832 0.81 BCHE (0.77) BCHEGUSBMAOBARCHRNA7
SCHEMBL17220882 0.80 MAOB (1.00) BCHEGUSBMAOBARCHRNA7
SCHEMBL6699827 0.80 BCHE (0.75) BCHEGUSBMAOBARCHRNA7
SCHEMBL675698 0.80 BCHE (0.75) BCHEGUSBMAOBARCHRNA7

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