SCHEMBL7181091

SCHEMBL7181091

COc1ccc2c(Oc3ccc(CCC(=O)O)cc3)c(-c3cccc(O)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 1/20 0.48
FFAR1 O14842 15/20 0.48
VDR P11473 1/20 0.46
PPARD Q03181 1/20 0.46
FFAR4 Q5NUL3 5/20 0.45
AKR1B1 P15121 1/20 0.43

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
SCHEMBL7185982 0.93 FFAR1 (0.50) ESR1ESR2FFAR1VDRPPARD
SCHEMBL7183653 0.93 FFAR1 (0.51) FFAR1VDRPPARDFFAR4
SCHEMBL7182660 0.92 ESR1 (0.56) ESR1ESR2FFAR1FFAR4AKR1B1
SCHEMBL7187977 0.89 ESR1 (0.47) ESR1ESR2FFAR1VDRPPARD
SCHEMBL7187874 0.89 ESR1 (0.55) ESR1ESR2FFAR1FFAR4
SCHEMBL7190740 0.88 FFAR1 (0.53) ESR1ESR2FFAR1FFAR4AKR1B1
SCHEMBL7183632 0.88 FFAR1 (0.52) ESR1FFAR1FFAR4
SCHEMBL7188059 0.87 ESR1 (0.55) ESR1ESR2FFAR1FFAR4
SCHEMBL7183920 0.86 FFAR1 (0.50) FFAR1VDRPPARDFFAR4AKR1B1
SCHEMBL7191690 0.86 ESR1 (0.54) ESR1ESR2FFAR1FFAR4

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