SCHEMBL3265167

SCHEMBL3265167

CC(Cc1ccc(O)c(F)c1)c1ccc(O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
SHBG P04278 1/20 0.50
ALOX15 P16050 5/20 0.46
ALOX12 P18054 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
USP2 O75604 2/20 0.46
NR3C1 P04150 2/20 0.46
FOS P01100 2/20 0.46
TTR P02766 2/20 0.46

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 0.91 ESR1 (0.45) ESR1ESR2SHBGALOX15ALOX12
SCHEMBL3237259 0.91 ESR1 (0.47) ESR1ESR2SHBGALOX15ALOX12
SCHEMBL3234340 0.90 ESR1 (0.66) ESR1ESR2SHBGALOX15ALOX12
SCHEMBL3232262 0.90 ESR1 (0.66) ESR1ESR2SHBGALDH1A1CYP3A4
SCHEMBL8251707 0.82 GABRA1 (0.63) ESR1SHBGALOX15ALOX12ALDH1A1
SCHEMBL9908608 0.80 SHBG (0.64) SHBGALOX15ALDH1A1HPGDHSD17B10
SCHEMBL10070163 0.80 ALOX15 (0.66) ESR1ESR2ALOX15ALOX12ALDH1A1
SCHEMBL14478217 0.79 TAAR1 (0.55) ESR1ALOX15ALOX12ALDH1A1HPGD
Bromide SCHEMBL9513709 0.77 SHBG (0.51) SHBGALOX15ALOX12ALDH1A1HPGD
SCHEMBL11223229 0.77 SHBG (0.47) ESR1SHBGALOX15ALOX12ALDH1A1

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