SCHEMBL3234487

SCHEMBL3234487

Cc1cc(C(C)Cc2ccc(O)c(F)c2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
ESR2 Q92731 2/20 0.45
SHBG P04278 1/20 0.42
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
NR3C1 P04150 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
PGR P06401 2/20 0.41
USP2 O75604 2/20 0.41
FOS P01100 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
SCHEMBL3237259 0.94 ESR1 (0.47) ESR1ESR2SHBGALOX15ALOX12
SCHEMBL3265167 0.91 ESR1 (0.50) ESR1ESR2SHBGALOX15ALOX12
SCHEMBL27223872 0.89 ESR1 (0.55) ESR1ESR2ALOX15ALOX12ALDH1A1
SCHEMBL298975 0.87 ESR1 (0.58) ESR1ESR2ALOX15ALOX12ALDH1A1
SCHEMBL3234340 0.84 ESR1 (0.66) ESR1ESR2SHBGALOX15ALOX12
SCHEMBL30374755 0.84 ESR1 (0.58) ESR1ESR2ALOX15ALOX12ALDH1A1
SCHEMBL697803 0.83 ESR1 (0.44) ESR1ESR2ALOX15ALOX12ALDH1A1
SCHEMBL3232262 0.81 ESR1 (0.66) ESR1ESR2SHBGALDH1A1MEN1
SCHEMBL29888554 0.80 ESR1 (0.68) ESR1ESR2ALOX15ALOX12ALDH1A1
SCHEMBL3234408 0.80 ESR1 (0.68) ESR1ESR2ALOX15ALOX12ALDH1A1

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