SCHEMBL6749914

SCHEMBL6749914

COc1ccc(-c2oc3cc(OC)ccc3c2-c2cc(OCCN3CCCCC3)ccc2C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.58
ACHE P22303 4/20 0.58
ESR1 P03372 6/20 0.58
MAOB P27338 1/20 0.52
HRH3 Q9Y5N1 4/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR2 Q92731 2/20 0.46
CCR4 P51679 1/20 0.45

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
Hydrochloric Acid SCHEMBL6746980 0.94 ESR1 (0.51) BCHEACHEESR1MAOBHRH3
Hydrochloric Acid SCHEMBL6748793 0.91 ALK (0.51) BCHEACHEESR1MAOBHRH3
SCHEMBL6748770 0.88 ESR1 (0.58) ESR1ESR2
SCHEMBL8588411 0.87 BCHE (0.60) BCHEACHEESR1MAOBHRH3
Hydrochloric Acid SCHEMBL8591894 0.87 BCHE (0.59) BCHEACHEESR1MAOBHRH3
Hydrochloric Acid SCHEMBL7112343 0.86 BCHE (0.59) BCHEACHEESR1MAOBHRH3
Hydrochloric Acid SCHEMBL6748771 0.84 ESR1 (0.51) ESR1ESR2
SCHEMBL7117346 0.84 ALDH1A1 (0.53) BCHEACHEMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6749953 0.83 ESR1 (0.52) ESR1ESR2
SCHEMBL6748926 0.83 ESR1 (0.49) BCHEACHEESR1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703407-B1 TREATMENT OF MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION ELI LILLY AND COMPANY 2004-03-09 US disclosed
EP-0774966-B1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS LILLY CO ELI (US) 2003-11-05 EP disclosed
EP-0774966-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS LILLY CO ELI (US) 1998-01-07 EP disclosed
EP-0774966-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-05-28 EP disclosed
WO-1996009040-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed