SCHEMBL6923802

SCHEMBL6923802

O=C(Cc1ccc(O)c(Br)c1)c1c(O)cc(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
HPGD P15428 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CYP3A4 P08684 3/20 0.61
MAPK1 P28482 2/20 0.61
PIK3CA P42336 1/20 0.61
GAA P10253 6/20 0.57
LMNA P02545 4/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
RAB9A P51151 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
PKM P14618 1/20 0.55
CYP19A1 P11511 2/20 0.51
TYR P14679 1/20 0.51
SLC5A1 P13866 4/20 0.50
SLC5A2 P31639 4/20 0.50

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
SCHEMBL24841623 0.84 CYP19A1 (0.70) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL5036945 0.80 MAPT (0.77) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL8578359 0.79 MAPT (0.55) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL134713 0.77 GAA (0.68) MAPTHPGDGAALMNAALDH1A1
SCHEMBL1245802 0.76 GAA (0.83) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL29535946 0.76 GAA (0.83) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL11627675 0.76 SLC5A1 (0.71) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL27697248 0.76 MAPT (0.60) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL11628971 0.76 SLC5A1 (0.71) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL5271301 0.75 HDAC1 (0.53) MAPTHPGDGAALMNAHSD17B10

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
US-6518301-B1 Better selectivity than estrogen for the estrogen receptor-beta over receptor-alpha; treatment of Alzheimer's disease, anxiety, depression, osteoporosis, cardiovascular disease, rheumatoid arthritis, or prostate cancer ASTRAZENECA AB (SE) 2003-02-11 US disclosed
EP-1173164-A2 ESTROGEN RECEPTOR-BETA LIGANDS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000062765-A2 ESTROGEN RECEPTOR-β LIGANDS ASTRAZENECA AB (SE) 2000-10-26 WO disclosed