SCHEMBL6744378

SCHEMBL6744378

Oc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.58
ESR2 Q92731 8/20 0.58
LTA4H P09960 3/20 0.55
PTPN1 P18031 1/20 0.54
ACP1 P24666 1/20 0.54
F2 P00734 1/20 0.54
XDH P47989 1/20 0.52

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 SCHEMBL6749894 0.99 ESR1 (0.59) ESR1ESR2LTA4HPTPN1ACP1
Hydrochloric Acid SCHEMBL6751611 0.93 ESR1 (0.66) ESR1ESR2PTPN1ACP1F2
SCHEMBL6748810 0.93 ESR1 (0.63) ESR1ESR2PTPN1ACP1F2
SCHEMBL6748780 0.89 LTA4H (0.56) ESR1ESR2LTA4H
Hydrochloric Acid SCHEMBL6745263 0.88 LTA4H (0.55) ESR1ESR2LTA4H
Hydrochloric Acid SCHEMBL6746982 0.88 ESR1 (0.59) ESR1ESR2LTA4HF2
SCHEMBL5167693 0.87 ESR1 (0.68) ESR1ESR2XDH
SCHEMBL14428674 0.87 ESR1 (0.68) ESR1ESR2XDH
SCHEMBL6749979 0.87 ESR1 (0.54) ESR1ESR2F2
SCHEMBL7442980 0.84 LTA4H (0.58) ESR1ESR2LTA4HPTPN1

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 6 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
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