SCHEMBL7930071

SCHEMBL7930071

COc1ccc(-c2c(Oc3ccc(OCCN4CCCCC4)cc3)c3ccccc3[s+]2[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.52
LTA4H P09960 4/20 0.51
ESR2 Q92731 2/20 0.51
HRH3 Q9Y5N1 6/20 0.46
KCNH2 Q12809 2/20 0.45
UBE2N P61088 1/20 0.45
ITGA4 P13612 1/20 0.45
MCHR1 Q99705 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL7926791 0.90 ESR1 (0.58) ESR1LTA4HESR2
SCHEMBL5486149 0.87 LTA4H (0.52) ESR1LTA4HESR2KCNH2MCHR1
SCHEMBL7458538 0.86 LTA4H (0.53) ESR1LTA4HESR2KCNH2MCHR1
SCHEMBL7930070 0.85 ESR1 (0.51) ESR1LTA4HESR2
SCHEMBL10001885 0.81 ESR1 (0.51) ESR1ESR2
SCHEMBL8015505 0.78 LTA4H (0.52) LTA4HHRH3KCNH2ITGA4MCHR1
SCHEMBL8018905 0.77 LTA4H (0.53) LTA4HHRH3ITGA4MCHR1
SCHEMBL11551829 0.77 LTA4H (0.60) ESR1LTA4HESR2
SCHEMBL11550799 0.77 LTA4H (0.60) ESR1LTA4HESR2
SCHEMBL7772126 0.76 LTA4H (0.60) ESR1LTA4HESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729956-B1 Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2001-10-31 EP disclosed
EP-1113013-A1 Benzothiophene compounds, intermediates, compositions and methods Eli Lilly & Company (US) 2001-07-04 EP disclosed
US-6197790-B1 OSTEOPOROSIS ELI LILLY AND COMPANY 2001-03-06 US disclosed
US-6030986-A POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION; ESTROGEN INDUCED UTERINE CANCER; OSTEOPOROSIS; RESTENOSIS; CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5998441-A ANTICHOLESTEROL AGENT; MIXTURE WITH ESTROGEN ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5986109-A UROGENITAL DISORDERS, CARDIOVASCULAR DISORDERS AND ANTICARCINOGENIC AGENTS ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
US-5985898-A INHIBITING HYPERLIPIDEMIA RESULTED FROM ESTROGEN DEFICIENCY DISEASE, REDUCING SERUM CHOLESTEROL, ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
US-5981765-A FOR TREATMENT OF POST-MENOPAUSAL SYNDROME INCLUDING OSTEOPOROSIS, CARDIOVASCULAR EFFECTS SUCH AS HYPERLIPIDEMIA, AND ESTROGEN-DEPENDENT CANCER, PARTICULARLY BREAST AND UTERINE CANCER ELI LILLY AND COMPANY (US) 1999-11-09 US disclosed
US-5977093-A INHIBITING ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5969142-A OXIDIZING SULFUR ATOM OF SUBSTITUTED BENZOTHIOPHENE, REACTING PRODUCT WITH NUCLEOPHILIC GROUP, REDUCING PRODUCT TO DESIRED COMPOUND ELI LILLY AND COMPANY (US) 1999-10-19 US disclosed
EP-0729956-A1 Benzothiophene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed