SCHEMBL6745462

SCHEMBL6745462

COc1ccc(-c2oc3cc(OC)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.61
LTA4H P09960 2/20 0.60
BCHE P06276 3/20 0.59
ACHE P22303 3/20 0.59
MAOB P27338 1/20 0.53
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
ESR2 Q92731 5/20 0.50

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 SCHEMBL6751621 0.99 ESR1 (0.60) ESR1LTA4HBCHEACHEMAOB
SCHEMBL6748780 0.94 LTA4H (0.56) ESR1LTA4HBCHEACHEMAOB
Hydrochloric Acid SCHEMBL6745263 0.93 LTA4H (0.55) ESR1LTA4HBCHEACHEMAOB
SCHEMBL6744827 0.90 LTA4H (0.60) ESR1LTA4HBCHEACHEPSMB1
Hydrochloric Acid SCHEMBL6749948 0.89 LTA4H (0.58) ESR1LTA4HBCHEACHEPSMB1
Hydrochloric Acid SCHEMBL6751611 0.85 ESR1 (0.66) ESR1ESR2
SCHEMBL6748810 0.85 ESR1 (0.63) ESR1ESR2
SCHEMBL7442980 0.83 LTA4H (0.58) ESR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL7117571 0.83 MEN1 (0.56) ESR1MAOB
SCHEMBL6744378 0.83 ESR1 (0.58) ESR1LTA4HESR2

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
US-6407243-B1 POSTMEMOPAUSE DISEASES ELI LILLY AND COMPANY 2002-06-18 US 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