SCHEMBL8093208

SCHEMBL8093208

COc1ccccc1C1Oc2ccccc2CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 4/20 0.48
CYP19A1 P11511 2/20 0.46
NR3C1 P04150 2/20 0.43
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
FABP5 Q01469 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL7032381 0.89 KDM4E (0.50) ALDH1A1KDM4ECYP19A1NR3C1THRB
SCHEMBL14957482 0.81 TNKS2 (0.46) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL8093303 0.81 ANPEP (0.41) ALDH1A1THRBHPGDMEN1KMT2A
Methoxymethane SCHEMBL27610365 0.78 KDM4E (0.42) ALDH1A1KDM4ECYP19A1NR3C1HPGD
SCHEMBL128290 0.78 AR (0.49) ALDH1A1THRBHSD17B10MEN1KMT2A
SCHEMBL27279995 0.78 KDM4E (0.45) ALDH1A1KDM4ECYP19A1THRBHSD17B10
SCHEMBL127705 0.77 MAPT (0.52) CYP19A1HPGDMAPTLMNA
SCHEMBL27183319 0.77 CYP19A1 (0.48) ALDH1A1CYP19A1HPGDHSD17B10MEN1
SCHEMBL5084443 0.77 MEN1 (0.49) CYP19A1NR3C1MEN1KMT2AL3MBTL1
SCHEMBL27520016 0.76 NR3C1 (0.36) ALDH1A1KDM4ENR3C1MEN1KMT2A

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