SCHEMBL2420787

SCHEMBL2420787

CCCCC12CCC(=O)C(c3ccc(OCCN(C)C)cc3)=C1c1ccc(O)cc1C2

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.75
ESR1 P03372 19/20 0.75

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
Hydrochloric Acid SCHEMBL2418694 0.99 ESR2 (0.74) ESR2ESR1
SCHEMBL2416955 0.97 ESR2 (0.70) ESR2ESR1
Hydrochloric Acid SCHEMBL2421692 0.96 ESR2 (0.69) ESR2ESR1
SCHEMBL2415502 0.92 ESR2 (0.69) ESR2ESR1
Hydrochloric Acid SCHEMBL2422897 0.92 ESR2 (0.68) ESR2ESR1
SCHEMBL2422275 0.86 ESR2 (0.88) ESR2ESR1
SCHEMBL2422287 0.86 ESR2 (0.74) ESR2ESR1
SCHEMBL2418189 0.85 ESR2 (0.75) ESR2ESR1
SCHEMBL2424862 0.85 ESR2 (0.70) ESR2ESR1
Hydrochloric Acid SCHEMBL2418710 0.85 ESR2 (0.73) ESR2ESR1

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-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP claimed