SCHEMBL7183969

SCHEMBL7183969

CCOC(=O)CCc1ccc(Oc2c(-c3cccc(O)c3)ccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.43
ESR2 Q92731 5/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
FFAR1 O14842 5/20 0.40
FFAR4 Q5NUL3 2/20 0.40
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
AHR P35869 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRA P10827 1/20 0.37

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 0.92 ESR1 (0.52) ESR1ESR2CYP4F2CYP4A11FFAR1
SCHEMBL7185068 0.90 MAPT (0.46) CYP4F2CYP4A11FFAR1KDM4EALDH1A1
SCHEMBL7195102 0.89 CYP4F2 (0.46) ESR1ESR2CYP4F2CYP4A11FFAR1
SCHEMBL7190740 0.87 FFAR1 (0.53) ESR1ESR2FFAR1FFAR4AKR1B1
SCHEMBL7190011 0.87 ESR1 (0.50) ESR1ESR2
SCHEMBL7190451 0.85 ESR1 (0.55) ESR1ESR2CYP4F2CYP4A11FFAR1
SCHEMBL7195351 0.85 MAPT (0.47) ESR1ESR2CYP4F2CYP4A11FFAR1
SCHEMBL7181210 0.85 ESR1 (0.54) ESR1ESR2
SCHEMBL7193207 0.83 ESR1 (0.49) ESR1ESR2CYP4F2CYP4A11KDM4E
SCHEMBL7194279 0.83 CYP1A2 (0.47) ESR1ESR2CYP4F2CYP4A11FFAR1

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