SCHEMBL8476547

SCHEMBL8476547

CC(=O)Oc1cccc(C2=C(C(=O)c3ccc(OCCN4CCCCC4)cc3)c3ccccc3CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.68
ESR2 Q92731 6/20 0.68
MCHR1 Q99705 1/20 0.51
LTA4H P09960 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
BACE1 P56817 2/20 0.47
GCGR P47871 1/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL8472430 0.94 ESR1 (0.71) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL7110896 0.92 ESR1 (0.69) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL8478033 0.92 ESR1 (0.68) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL8476709 0.91 ESR1 (0.67) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL7107851 0.89 ESR1 (0.79) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL6592276 0.87 ESR1 (0.76) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL4660156 0.87 ESR1 (0.79) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL8472437 0.87 ESR1 (0.73) ESR1ESR2MCHR1LTA4HPSMB1
SCHEMBL7105763 0.86 ESR1 (0.72) ESR1ESR2MCHR1LTA4HPSMB1
Hydrochloric Acid SCHEMBL7153807 0.85 ESR1 (0.71) ESR1ESR2MCHR1LTA4HPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958916-A FOR INHIBITING BONE LOSS OR BONE RESORPTION ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed