SCHEMBL6828285

SCHEMBL6828285

O=c1oc2c(Cl)c(O)ccc2c2ccc(O)c(Cl)c12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.68
ESR1 P03372 15/20 0.68
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
PKLR P30613 1/20 0.46
GALNT2 Q10471 1/20 0.46
GALNT1 Q10472 1/20 0.46
GALNT3 Q14435 1/20 0.46
GALNT10 Q86SR1 1/20 0.46
GALNT13 Q8IUC8 1/20 0.46
GALNT6 Q8NCL4 1/20 0.46
GALNT14 Q96FL9 1/20 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
SCHEMBL6830519 0.89 ESR2 (0.59) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL26766942 0.82 ESR2 (0.66) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30629209 0.82 ESR2 (0.66) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828097 0.81 ESR2 (1.00) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL26768832 0.80 KDM4E (0.50) ESR2ESR1
SCHEMBL6828178 0.79 ESR2 (1.00) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL15346134 0.79 ATP1A1 (0.64) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL26772847 0.78 ESR1 (0.68) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828323 0.76 ESR2 (1.00) ESR2ESR1CSNK2A1
SCHEMBL7984298 0.76 ESR2 (0.75) ESR2ESR1PKLRGALNT2GALNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO claimed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed