SCHEMBL6828097

SCHEMBL6828097

O=c1oc2c(Cl)c(O)ccc2c2cc(F)c(O)c(Cl)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 1.00
ESR1 P03372 15/20 1.00
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
CSNK2A1 P68400 2/20 0.48
PKLR P30613 2/20 0.44
GALNT2 Q10471 2/20 0.44
GALNT1 Q10472 1/20 0.44
GALNT3 Q14435 1/20 0.44
GALNT10 Q86SR1 1/20 0.44
GALNT13 Q8IUC8 1/20 0.44
GALNT6 Q8NCL4 1/20 0.44
GALNT14 Q96FL9 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PLK4 O00444 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
CA12 O43570 1/20 0.41
NUAK1 O60285 1/20 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
SCHEMBL6828285 0.81 ESR2 (0.68) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6830519 0.75 ESR2 (0.59) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30629209 0.72 ESR2 (0.66) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL26766942 0.72 ESR2 (0.66) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828178 0.70 ESR2 (1.00) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828323 0.70 ESR2 (1.00) ESR2ESR1CSNK2A1KDM4EGAA
SCHEMBL15346134 0.69 ATP1A1 (0.64) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL9837184 0.69 ESR1 (0.52) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828141 0.68 ESR2 (0.85) ESR2ESR1
SCHEMBL9748319 0.67 ATP1A1 (0.61) ESR2ESR1CSNK2A2CSNK2BCSNK2A1

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 1 patent. 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