SCHEMBL7860060

SCHEMBL7860060

COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCC[N+]3([O-])CCCCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.69
ESR2 Q92731 12/20 0.69
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48

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
SCHEMBL7852990 0.94 ESR1 (0.67) ESR1ESR2
Arzoxifene SCHEMBL285277 0.81 ESR1 (1.00) ESR1ESR2
Arzoxifene SCHEMBL29354336 0.81 ESR1 (1.00) ESR1ESR2
Arzoxifene SCHEMBL29351083 0.81 ESR1 (0.98) ESR1ESR2
Arzoxifene SCHEMBL699600 0.81 ESR1 (0.98) ESR1ESR2
Arzoxifene SCHEMBL5970803 0.81 ESR1 (0.98) ESR1ESR2
Arzoxifene SCHEMBL5493113 0.80 ESR1 (0.96) ESR1ESR2
Arzoxifene SCHEMBL1649149 0.80 ESR1 (0.96) ESR1ESR2
SCHEMBL14613446 0.80 ESR1 (0.76) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL7859976 0.80 F2 (0.61) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791591-B1 Benzothiophenes, formulations containing same, and methods for their préparation LILLY CO ELI (US) 2001-08-29 EP claimed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US claimed
EP-0791591-A1 Benzothiophenes, formulations containing same, and methods ELI LILLY AND COMPANY (US) 1997-08-27 EP claimed
EP-0791591-B1 Benzothiophenes, formulations containing same, and methods for their préparation LILLY CO ELI (US) 2001-08-29 EP disclosed
US-6258826-B1 HALOGEN SUBSTITUTED BENZOTHIOPHENE COMPOUNDS WITH CARRIERS ELI LILLY AND COMPANY 2001-07-10 US disclosed
WO-1997030709-A1 BENZOTHIOPHENES, FORMULATIONS CONTAINING SAME, AND METHODS ELI LILLY AND COMPANY (US) 1997-08-28 WO disclosed
EP-0791591-A1 Benzothiophenes, formulations containing same, and methods ELI LILLY AND COMPANY (US) 1997-08-27 EP disclosed