SCHEMBL6748797

SCHEMBL6748797

CCN(CC)CCOc1ccc(C=O)c(-c2c(-c3ccc(OC)cc3)oc3cc(OC)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
ALK Q9UM73 9/20 0.53
TOP1 P11387 1/20 0.50
HRH3 Q9Y5N1 2/20 0.44
MCHR1 Q99705 1/20 0.43
XDH P47989 1/20 0.42
MAPT P10636 1/20 0.42
CHRNA7 P36544 1/20 0.42
KMT2A Q03164 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
SCHEMBL6748926 0.91 ESR1 (0.49) BCHEACHEALKTOP1HRH3
SCHEMBL6747002 0.88 BCHE (0.43) BCHEACHEALKTOP1HRH3
SCHEMBL7117346 0.86 ALDH1A1 (0.53) BCHEACHEMAPTKMT2A
SCHEMBL6749914 0.81 BCHE (0.58) BCHEACHEHRH3MAPT
SCHEMBL5924015 0.79 MAPT (0.56) BCHEACHEMAPTKMT2A
SCHEMBL6749880 0.77 BCHE (0.59) BCHEACHEALKTOP1MCHR1
SCHEMBL8589084 0.77 ESR1 (0.50) BCHEACHEALKHRH3MAPT
Hydrochloric Acid SCHEMBL6749922 0.76 BCHE (0.58) BCHEACHEALKTOP1MCHR1
Hydrochloric Acid SCHEMBL6746980 0.76 ESR1 (0.51) BCHEACHEALKHRH3XDH
SCHEMBL4651950 0.75 CNR2 (0.65) BCHEACHEMCHR1MAPT

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