SCHEMBL2906308

SCHEMBL2906308

COc1ccc2c(Oc3ccc(OCCN4C=CC=CC=C4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.35
ESR2 Q92731 11/20 0.35
CHRM5 P08912 2/20 0.34
SLC2A1 P11166 2/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL1359072 0.85 ESR1 (0.51) ESR1ESR2
SCHEMBL1359779 0.85 ESR1 (0.51) ESR1ESR2
Hydrochloric Acid SCHEMBL2183048 0.84 ESR1 (0.51) ESR1ESR2
SCHEMBL5418196 0.78 ESR1 (0.49) ESR1ESR2
SCHEMBL5706948 0.77 LTA4H (0.39)
Hydrochloric Acid SCHEMBL3111360 0.76 ESR1 (0.61) ESR1ESR2
SCHEMBL1359755 0.75 ESR1 (0.50) ESR1ESR2
SCHEMBL2180952 0.74 ESR1 (0.62) ESR1ESR2
SCHEMBL3115415 0.73 LTA4H (0.52) ESR1ESR2
SCHEMBL9939378 0.71 SLC2A1 (0.42) SLC2A1TRPA1

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
EP-1709021-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS LILLY CO ELI (US) 2010-08-04 EP disclosed