SCHEMBL2418331

SCHEMBL2418331

CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)C(C)(C(=O)[C@H]1CCCN1)C2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.52
ESR1 P03372 19/20 0.52

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
SCHEMBL2418430 0.79 ESR2 (0.67) ESR2ESR1
SCHEMBL2417177 0.77 ESR2 (0.65) ESR2ESR1
SCHEMBL2415430 0.77 ESR2 (0.65) ESR2ESR1
SCHEMBL2418022 0.76 ESR2 (0.66) ESR2ESR1
SCHEMBL2413798 0.71 ESR2 (0.67) ESR2ESR1
SCHEMBL12320126 0.71 ESR2 (0.67) ESR2ESR1
SCHEMBL12320445 0.70 ESR2 (0.66) ESR2ESR1
SCHEMBL4858732 0.70 ESR2 (0.87) ESR2ESR1
SCHEMBL2415861 0.70 ESR2 (0.66) ESR2ESR1
SCHEMBL2415354 0.69 ESR2 (1.00) 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 disclosed