SCHEMBL8478693

SCHEMBL8478693

CC(=O)Oc1ccccc1C1=C(C(=O)c2ccc(OCCN3CCCCC3)cc2)c2ccc(OC(=O)c3ccccc3)cc2CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.63
ESR2 Q92731 3/20 0.63
LTA4H P09960 1/20 0.51
MCHR1 Q99705 1/20 0.48
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
PSMB1 P20618 3/20 0.46
PSMB5 P28074 3/20 0.46
PSMB2 P49721 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45

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
SCHEMBL8472437 0.86 ESR1 (0.73) ESR1ESR2LTA4HMCHR1EBP
SCHEMBL7107091 0.85 ESR1 (0.66) ESR1ESR2LTA4HMCHR1EBP
SCHEMBL8478033 0.83 ESR1 (0.68) ESR1ESR2LTA4HMCHR1PSMB1
SCHEMBL8472940 0.83 ESR1 (0.58) ESR1ESR2LTA4HMCHR1PSMB1
SCHEMBL8578487 0.82 ESR1 (0.65) ESR1ESR2LTA4HEBPSIGMAR1
SCHEMBL8472430 0.82 ESR1 (0.71) ESR1ESR2LTA4HMCHR1EBP
SCHEMBL11191615 0.80 ESR1 (0.79) ESR1ESR2LTA4HMCHR1EBP
SCHEMBL8477440 0.80 ESR1 (0.68) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL3870510 0.80 ESR1 (0.82) ESR1ESR2LTA4HMCHR1EBP
SCHEMBL11185809 0.80 ESR1 (0.82) ESR1ESR2LTA4HMCHR1EBP

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