SCHEMBL7187993

SCHEMBL7187993

CCOC(=O)CCc1ccc(Oc2c(-c3cccc(O)c3)ccc3cc(O)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.52
ESR2 Q92731 14/20 0.52
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL7190011 0.94 ESR1 (0.50) ESR1ESR2
SCHEMBL7190451 0.93 ESR1 (0.55) ESR1ESR2CYP4F2CYP4A11FFAR1
SCHEMBL7181210 0.93 ESR1 (0.54) ESR1ESR2
SCHEMBL7183969 0.92 ESR1 (0.43) ESR1ESR2CYP4F2CYP4A11KDM4E
SCHEMBL7193207 0.91 ESR1 (0.49) ESR1ESR2CYP4F2CYP4A11KDM4E
SCHEMBL7189822 0.90 ESR1 (0.52) ESR1ESR2
SCHEMBL7181189 0.88 ESR1 (0.52) ESR1ESR2CYP4F2CYP4A11FFAR1
SCHEMBL7195159 0.88 ESR1 (0.44) ESR1ESR2CYP4F2CYP4A11KDM4E
SCHEMBL7189095 0.87 ESR1 (0.47) ESR1ESR2CYP4F2CYP4A11
SCHEMBL7182660 0.87 ESR1 (0.56) ESR1ESR2FFAR1

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