SCHEMBL7183659

SCHEMBL7183659

O=C(O)CCCc1ccc(Oc2c(-c3ccc(O)cc3)ccc3cc(O)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.54
ESR2 Q92731 11/20 0.52
PCNA P12004 1/20 0.46
FFAR4 Q5NUL3 3/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH2 P05091 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL7189109 0.94 ESR1 (0.48) ESR1ESR2FFAR4
SCHEMBL7187252 0.93 ESR1 (0.62) ESR1ESR2PCNAFFAR4
SCHEMBL7191690 0.91 ESR1 (0.54) ESR1ESR2PCNAFFAR4CYP1A2
SCHEMBL7187548 0.88 ESR1 (0.47) ESR1ESR2
SCHEMBL7195082 0.87 ESR1 (0.56) ESR1ESR2PCNAFFAR4
SCHEMBL7188059 0.87 ESR1 (0.55) ESR1ESR2PCNAFFAR4
SCHEMBL7189366 0.87 ESR1 (0.55) ESR1ESR2PCNAFFAR4
SCHEMBL7188433 0.87 ESR1 (0.48) ESR1ESR2ALDH2MAOAMAOB
SCHEMBL7187213 0.86 FFAR4 (0.47) ESR1ESR2FFAR4CYP1A2MAOA
SCHEMBL7187874 0.85 ESR1 (0.55) ESR1ESR2PCNAFFAR4CYP1A2

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 6 patents. 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
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP claimed
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed