SCHEMBL7190011

SCHEMBL7190011

CCOC(=O)CCCc1ccc(Oc2c(-c3cccc(O)c3)ccc3cc(O)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.50
ESR2 Q92731 13/20 0.50
FAAH O00519 1/20 0.40
ALDH2 P05091 2/20 0.38
ALOX5 P09917 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL7187993 0.94 ESR1 (0.52) ESR1ESR2
SCHEMBL7188433 0.92 ESR1 (0.48) ESR1ESR2ALDH2MAOAMAOB
SCHEMBL7188063 0.89 ESR1 (0.44) ESR1ESR2ALDH2ALOX5MAOA
SCHEMBL7191690 0.88 ESR1 (0.54) ESR1ESR2
SCHEMBL7190451 0.87 ESR1 (0.55) ESR1ESR2MAOB
SCHEMBL7181210 0.87 ESR1 (0.54) ESR1ESR2
SCHEMBL7183969 0.87 ESR1 (0.43) ESR1ESR2
SCHEMBL7189822 0.86 ESR1 (0.52) ESR1ESR2
SCHEMBL7193207 0.85 ESR1 (0.49) ESR1ESR2ALDH2MAOAMAOB
SCHEMBL7182660 0.83 ESR1 (0.56) 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
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP claimed