SCHEMBL7106791

SCHEMBL7106791

COc1cccc(-c2sc3cc(OC(C)=O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.65
ESR2 Q92731 19/20 0.65

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 SCHEMBL6550246 0.90 ESR1 (0.74) ESR1ESR2
SCHEMBL7106179 0.88 ESR1 (0.83) ESR1ESR2
Hydrochloric Acid SCHEMBL7100901 0.87 ESR1 (0.82) ESR1ESR2
SCHEMBL7108651 0.87 ESR1 (0.79) ESR1ESR2
Oxalic Acid SCHEMBL7108633 0.87 ESR1 (0.75) ESR1ESR2
Hydrochloric Acid SCHEMBL7107405 0.86 ESR1 (0.77) ESR1ESR2
SCHEMBL7101221 0.86 ESR1 (0.66) ESR1ESR2
Hydrochloric Acid SCHEMBL7103199 0.85 ESR1 (0.65) ESR1ESR2
Hydrochloric Acid SCHEMBL6552056 0.85 ESR1 (0.78) ESR1ESR2
Oxalic Acid SCHEMBL7456866 0.85 ESR1 (0.80) ESR1ESR2

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-0827959-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5977382-A Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed