SCHEMBL8476709

SCHEMBL8476709

COc1ccc2c(c1)CCC(c1cccc(OC(C)=O)c1)=C2C(=O)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.67
ESR2 Q92731 10/20 0.67
EBP Q15125 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
LTA4H P09960 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MCHR1 Q99705 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 0.97 ESR1 (0.71) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7105763 0.96 ESR1 (0.72) ESR1ESR2EBPSIGMAR1PSMB1
Hydrochloric Acid SCHEMBL7153807 0.95 ESR1 (0.71) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7110414 0.95 ESR1 (0.71) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL8477415 0.94 ESR1 (0.65) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7112996 0.92 ESR1 (0.66) ESR1ESR2EBPSIGMAR1HRH3
SCHEMBL7110616 0.91 ESR1 (0.81) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL8476547 0.91 ESR1 (0.68) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7111259 0.90 ESR1 (0.77) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7110896 0.90 ESR1 (0.69) ESR1ESR2EBPSIGMAR1PSMB1

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