SCHEMBL7188311

SCHEMBL7188311

O=C(O)C/C=C/c1ccc(Oc2c(-c3ccc(O)c(Cl)c3)ccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.41
ESR2 Q92731 7/20 0.41
PAM P19021 1/20 0.40
THRA P10827 7/20 0.40
THRB P10828 7/20 0.40
HDAC1 Q13547 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
HDAC2 Q92769 1/20 0.38

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
SCHEMBL7188316 1.00 ESR1 (0.41) ESR1ESR2PAMTHRATHRB
SCHEMBL7185012 0.89 ESR1 (0.50) ESR1ESR2ABCG2
SCHEMBL7185015 0.89 ESR1 (0.50) ESR1ESR2ABCG2
SCHEMBL7184010 0.89 ESR1 (0.43) ESR1ESR2PAMABCG2
SCHEMBL7184005 0.89 ESR1 (0.43) ESR1ESR2PAMABCG2
SCHEMBL7189412 0.87 ESR1 (0.48) ESR1ESR2PAM
SCHEMBL7189415 0.87 ESR1 (0.48) ESR1ESR2PAM
SCHEMBL7181375 0.84 ESR1 (0.50) ESR1ESR2PAMABCG2
SCHEMBL7181373 0.84 ESR1 (0.50) ESR1ESR2PAMABCG2
SCHEMBL7189157 0.83 ESR1 (0.44) ESR1ESR2PAM

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 4 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
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
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed