SCHEMBL3237259

SCHEMBL3237259

Cc1cc(CC(C)c2ccc(O)c(F)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
ESR2 Q92731 2/20 0.47
SHBG P04278 1/20 0.45
NR3C1 P04150 3/20 0.43
PGR P06401 2/20 0.43
NR3C2 P08235 1/20 0.43
ALOX15 P16050 4/20 0.41
ALOX12 P18054 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
USP2 O75604 2/20 0.41

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
SCHEMBL3234487 0.94 ESR1 (0.45) ESR1ESR2SHBGNR3C1PGR
SCHEMBL3265167 0.91 ESR1 (0.50) ESR1ESR2SHBGNR3C1PGR
SCHEMBL27223872 0.89 ESR1 (0.55) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL30374755 0.87 ESR1 (0.58) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL3232262 0.84 ESR1 (0.66) ESR1ESR2SHBGALDH1A1MEN1
SCHEMBL298975 0.84 ESR1 (0.58) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL3234408 0.83 ESR1 (0.68) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL29888554 0.83 ESR1 (0.68) ESR1ESR2NR3C1PGRNR3C2
SCHEMBL3234340 0.81 ESR1 (0.66) ESR1ESR2SHBGNR3C1PGR
SCHEMBL5137345 0.80 ESR1 (0.52) ESR1ESR2NR3C1PGRNR3C2

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
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 WO claimed
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 WO disclosed
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 WO disclosed