SCHEMBL6748780

SCHEMBL6748780

COc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.56
ESR1 P03372 5/20 0.54
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
ESR2 Q92731 2/20 0.52
MAOB P27338 1/20 0.51
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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 SCHEMBL6745263 0.99 LTA4H (0.55) LTA4HESR1BCHEACHEESR2
SCHEMBL6745462 0.94 ESR1 (0.61) LTA4HESR1BCHEACHEESR2
Hydrochloric Acid SCHEMBL6751621 0.93 ESR1 (0.60) LTA4HESR1BCHEACHEESR2
SCHEMBL6744378 0.89 ESR1 (0.58) LTA4HESR1ESR2
SCHEMBL6744827 0.89 LTA4H (0.60) LTA4HESR1BCHEACHEESR2
Hydrochloric Acid SCHEMBL6749894 0.88 ESR1 (0.59) LTA4HESR1ESR2
Hydrochloric Acid SCHEMBL6749948 0.88 LTA4H (0.58) LTA4HESR1BCHEACHEESR2
SCHEMBL7442980 0.84 LTA4H (0.58) LTA4HESR1ESR2PSMB1PSMB5
Hydrochloric Acid SCHEMBL6751611 0.82 ESR1 (0.66) ESR1ESR2
SCHEMBL6748810 0.82 ESR1 (0.63) ESR1ESR2

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 3 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