SCHEMBL7925045

SCHEMBL7925045

CC(C)(C)Oc1ccc(-c2cc(O)ccc2Oc2csc3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 1/20 0.33
PPARD Q03181 1/20 0.33
ESR1 P03372 1/20 0.33
BACE1 P56817 1/20 0.33
MAOB P27338 1/20 0.32
HSP90AA1 P07900 2/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL7926784 0.87 BACE1 (0.46) ERN1CYP2C19MAPTCYP2C9BACE1
SCHEMBL7926823 0.84 GSTP1 (0.39) PPARGMAPTMAOBHSP90AA1KDM4E
SCHEMBL7456933 0.72 BACE1 (0.47) ERN1CYP2C19MAPTCYP2C9BACE1
SCHEMBL7927596 0.72 NPSR1 (0.47) MAPTMAOBNPSR1ALDH1A1
SCHEMBL7927647 0.68 FYN (0.40) ERN1BACE1TUBB4ATUBBTUBA3C
SCHEMBL8380746 0.66 ESR1 (0.54) ESR1
SCHEMBL28893935 0.65 LTA4H (0.53) ESR1BACE1MEN1KMT2A
SCHEMBL2094725 0.65 ABL1 (0.47) MAPTESR1MEN1KMT2AABL1
SCHEMBL5370456 0.64 ERN1 (0.56) ERN1CYP2C19MAPTESR1HSP90AA1
SCHEMBL6594759 0.64 LTA4H (0.47) CYP2C19MAPTCYP2C9ESR1MAOB

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 13 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-5985898-A INHIBITING HYPERLIPIDEMIA RESULTED FROM ESTROGEN DEFICIENCY DISEASE, REDUCING SERUM CHOLESTEROL, ELI LILLY AND COMPANY (US) 1999-11-16 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