SCHEMBL7617952

SCHEMBL7617952

COc1ccc(-c2sc3cc(OC)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.70
ESR1 P03372 9/20 0.69
ESR2 Q92731 9/20 0.69
LTA4H P09960 1/20 0.60
ENPP3 O14638 1/20 0.58
ENPP1 P22413 1/20 0.58

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
Hydrochloric Acid SCHEMBL7670336 0.99 F2 (0.69) F2ESR1ESR2LTA4HENPP3
SCHEMBL6595906 0.94 F2 (0.80) F2ESR1ESR2LTA4H
SCHEMBL6141705 0.92 F2 (0.62) F2ESR1ESR2LTA4H
SCHEMBL7410171 0.90 F2 (0.63) F2ESR1ESR2LTA4H
SCHEMBL6594039 0.90 F2 (0.81) F2ESR1ESR2ENPP3ENPP1
SCHEMBL6141711 0.89 F2 (0.62) F2ESR1ESR2
SCHEMBL6172878 0.89 ESR1 (0.66) F2ESR1ESR2LTA4H
SCHEMBL6597343 0.89 F2 (0.60) F2ESR1ESR2ENPP3ENPP1
SCHEMBL6597349 0.89 F2 (0.60) F2ESR1ESR2ENPP3ENPP1
SCHEMBL6597350 0.89 F2 (0.60) F2ESR1ESR2ENPP3ENPP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703231-B1 2-(4-Hydroxyphenyl)benzothiophene compounds, compositions and methods for alleviating the symptoms of post-menopause syndrome LILLY CO ELI (US) 2002-05-02 EP disclosed
WO-1996009041-A1 BENZOTHIOPHENE COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703231-A1 2-(4-Hydroxyphenyl)benzothiophene compounds, compositions and methods for alleviating the symptoms of post-menopause syndrome ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
US-5492921-A PREVENTING RESTENOSIS ELI LILLY AND COMPANY (US) 1996-02-20 US disclosed
US-5484798-A Benzothiopene compounds, compositions, and method of inhibiting restenosis ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed