SCHEMBL7930055

SCHEMBL7930055

COCOc1ccc(-c2cc(OCc3ccccc3)cc(OC)c2Oc2csc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
MGAM O43451 4/20 0.45
SI P14410 4/20 0.45
MGAM2 Q2M2H8 4/20 0.45
GSTP1 P09211 2/20 0.41
FYN P06241 1/20 0.38
PRMT5 O14744 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NOD2 Q9HC29 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL7457025 0.92 MGAM (0.45) GAAMGAMSIMGAM2GSTP1
SCHEMBL7927647 0.87 FYN (0.40) GAAMGAMSIMGAM2FYN
SCHEMBL7927596 0.79 NPSR1 (0.47) GAAMGAMSIMGAM2GSTP1
SCHEMBL7456933 0.76 BACE1 (0.47) MAPTMAPK1NPSR1CYP1A1CYP1A2
SCHEMBL6550609 0.75 LMNA (0.47) GAAGSTP1MAPTCYP1A2LMNA
SCHEMBL7926823 0.73 GSTP1 (0.39) GAAMGAMSIMGAM2GSTP1
SCHEMBL7918757 0.71 TUBB4A (0.43) MAPTMAPK1NPSR1CYP1A2ALDH1A1
SCHEMBL7918745 0.68 ALOX5 (0.41) CYP1A2LMNAFFAR1
SCHEMBL27469411 0.67 MAPT (0.46) MAPTMAPK1NPSR1CYP1A2LMNA
SCHEMBL27998563 0.67 MAOB (0.59) GAAMGAMSIMGAM2MAPK1

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