SCHEMBL19683582

SCHEMBL19683582

Cc1ccc(O)c2c1C(C)(CCN)CO2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL19683769 0.70 MET (0.32)
SCHEMBL20683148 0.70 MET (0.32)
SCHEMBL29438009 0.67 ESR1 (0.34) ESR1ESR2
SCHEMBL9900562 0.67 ESR1 (0.34) ESR1ESR2
SCHEMBL19661053 0.66 ADRA1D (0.31)
SCHEMBL23027449 0.66 TP53 (0.32) ESR1ESR2
SCHEMBL11345657 0.66 ESR1 (0.33) ESR1ESR2
SCHEMBL13079212 0.66 MAOA (0.37)
SCHEMBL19683588 0.63 OPRD1 (0.30)
SCHEMBL9904807 0.62 MAOA (0.33) ESR1ESR2

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-2017207519-A1 PROCESS FOR OBTAINING 3,14-DIACETYLOXYMORPHONE FROM ORIPAVINE ALCALIBER INVESTIGACIÓN DESARROLLO E INNOVACIÓN, S.L. (ES) 2017-12-07 WO disclosed