SCHEMBL12320150

SCHEMBL12320150

CCCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)[C@@H](CCO)C2

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.61
ESR1 P03372 19/20 0.61

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
SCHEMBL2417470 1.00 ESR2 (0.61) ESR2ESR1
SCHEMBL2417559 0.94 ESR2 (0.64) ESR2ESR1
SCHEMBL2421292 0.94 ESR2 (0.64) ESR2ESR1
SCHEMBL2418848 0.91 ESR2 (0.68) ESR2ESR1
SCHEMBL6137782 0.91 ESR2 (0.68) ESR2ESR1
SCHEMBL12320127 0.87 ESR2 (0.58) ESR2ESR1
SCHEMBL2417737 0.87 ESR2 (0.58) ESR2ESR1
SCHEMBL12320882 0.87 ESR2 (0.60) ESR2ESR1
SCHEMBL2415427 0.87 ESR2 (0.60) ESR2ESR1
SCHEMBL2420997 0.87 ESR2 (0.60) 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