SCHEMBL7924348

SCHEMBL7924348

Oc1ccc(-c2sc3ccccc3c2Oc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.80
ESR2 Q92731 18/20 0.80
ITGA4 P13612 1/20 0.66

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
SCHEMBL7938571 0.99 ESR1 (0.81) ESR1ESR2ITGA4
SCHEMBL6597509 0.95 ITGA4 (0.72) ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL6550274 0.90 ESR1 (0.74) ESR1ESR2ITGA4
SCHEMBL7517965 0.90 ESR1 (0.98) ESR1ESR2
Hydrochloric Acid SCHEMBL6551286 0.89 ESR1 (0.76) ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL7942899 0.89 ESR1 (0.98) ESR1ESR2
SCHEMBL7918803 0.89 ESR1 (0.76) ESR1ESR2ITGA4
SCHEMBL3743164 0.89 ESR1 (1.00) ESR1ESR2
SCHEMBL7103407 0.88 ESR1 (0.78) ESR1ESR2ITGA4
Hydrochloric Acid SCHEMBL3807019 0.88 ESR1 (1.00) 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 12 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
US-5492922-A PREVENTING RESTENOSIS ELI LILLY AND COMPANY (US) 1996-02-20 US disclosed
US-5488058-A UROGENITAL DISORDERS OR OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1996-01-30 US disclosed