SCHEMBL7185982

SCHEMBL7185982

COc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.50
VDR P11473 1/20 0.49
PPARD Q03181 1/20 0.49
ESR1 P03372 5/20 0.49
ESR2 Q92731 3/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
FFAR4 Q5NUL3 4/20 0.44

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
SCHEMBL7183653 0.94 FFAR1 (0.51) FFAR1VDRPPARDTHRATHRB
SCHEMBL7181091 0.93 ESR1 (0.48) FFAR1VDRPPARDESR1ESR2
SCHEMBL7182660 0.91 ESR1 (0.56) FFAR1ESR1ESR2THRATHRB
SCHEMBL7188059 0.90 ESR1 (0.55) FFAR1ESR1ESR2FFAR4
SCHEMBL7183920 0.89 FFAR1 (0.50) FFAR1VDRPPARDTHRATHRB
SCHEMBL7187874 0.88 ESR1 (0.55) FFAR1ESR1ESR2FFAR4
SCHEMBL7181214 0.87 ESR1 (0.59) FFAR1ESR1ESR2FFAR4
SCHEMBL7187977 0.86 ESR1 (0.47) FFAR1VDRPPARDESR1ESR2
SCHEMBL7187252 0.86 ESR1 (0.62) FFAR1ESR1ESR2FFAR4
SCHEMBL7191690 0.85 ESR1 (0.54) FFAR1ESR1ESR2THRATHRB

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