SCHEMBL7930070

SCHEMBL7930070

COc1ccc(-c2c(Oc3ccc(OCCN4CCCCC4)cc3)c3ccc(OC(C)C)cc3[s+]2[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.51
ESR2 Q92731 12/20 0.51
LTA4H P09960 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42

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 0.93 ESR1 (0.58) ESR1ESR2LTA4HBCHEACHE
SCHEMBL10001885 0.87 ESR1 (0.51) ESR1ESR2BCHEACHEENPP3
SCHEMBL5486149 0.85 LTA4H (0.52) ESR1ESR2LTA4H
SCHEMBL7930071 0.85 ESR1 (0.52) ESR1ESR2LTA4H
SCHEMBL7458538 0.84 LTA4H (0.53) ESR1ESR2LTA4H
Hydrochloric Acid SCHEMBL5486653 0.78 ESR1 (0.76) ESR1ESR2ENPP3ENPP1
SCHEMBL11551921 0.78 ESR1 (0.63) ESR1ESR2ACHEENPP3ENPP1
SCHEMBL7469979 0.77 LTA4H (0.51) ESR1ESR2LTA4H
SCHEMBL7950100 0.76 ESR1 (0.61) ESR1ESR2LTA4HACHEENPP3
SCHEMBL11551029 0.75 ESR1 (0.66) ESR1ESR2ACHE

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 10 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-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