SCHEMBL6828178

SCHEMBL6828178

Cc1cc(O)c(Cl)c2c(=O)oc3c(Cl)c(O)ccc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 1.00
ESR1 P03372 16/20 1.00
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 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
SCHEMBL6828285 0.79 ESR2 (0.68) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828387 0.78 ESR2 (1.00) ESR2ESR1
SCHEMBL6828323 0.77 ESR2 (1.00) ESR2ESR1CSNK2A1
SCHEMBL10627951 0.75 MAOB (0.71) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6926052 0.72 ESR2 (1.00) ESR2ESR1
SCHEMBL26766942 0.70 ESR2 (0.66) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30629209 0.70 ESR2 (0.66) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL15346134 0.70 ATP1A1 (0.64) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6830519 0.70 ESR2 (0.59) ESR2ESR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6828097 0.70 ESR2 (1.00) 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