SCHEMBL8102695

SCHEMBL8102695

COc1cccc(OC)c1/C=C/C(=O)c1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.74
AR P10275 1/20 0.74
ABCG2 Q9UNQ0 5/20 0.65
MAPT P10636 2/20 0.64
ACHE P22303 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
NR1H4 Q96RI1 1/20 0.64
MAOA P21397 4/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
AURKA O14965 1/20 0.59
ABCB1 P08183 1/20 0.58

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
SCHEMBL8102696 1.00 MAOB (0.74) MAOBARABCG2MAPTACHE
SCHEMBL29211623 0.90 ABCG2 (0.66) MAOBARABCG2MAPTACHE
SCHEMBL5084274 0.85 AR (1.00) MAOBARABCG2MAPTACHE
SCHEMBL5084268 0.85 AR (1.00) MAOBARABCG2MAPTACHE
SCHEMBL30807180 0.85 AR (1.00) MAOBARABCG2MAPTACHE
SCHEMBL5138170 0.84 MAOB (0.82) MAOBARABCG2MAPTACHE
SCHEMBL5138171 0.84 MAOB (0.82) MAOBARABCG2MAPTACHE
SCHEMBL7097152 0.84 ABCG2 (0.63) MAOBARABCG2MAPTACHE
SCHEMBL19880069 0.83 AURKA (0.82) MAOBARABCG2MAPTNR1H4
SCHEMBL29270985 0.83 MAPT (0.66) MAOBARABCG2MAPTACHE

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