SCHEMBL8474177

SCHEMBL8474177

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3cccc(OC)c3OC)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.57
ESR2 Q92731 17/20 0.57
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51
GCGR P47871 1/20 0.49
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49

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
SCHEMBL8473947 0.92 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8473855 0.91 ESR1 (0.55) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL14503731 0.90 ESR1 (0.53) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5419421 0.89 ESR1 (0.53) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359801 0.87 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5430797 0.87 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7107781 0.87 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358515 0.86 ESR1 (0.63) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8475241 0.86 ESR1 (0.57) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359583 0.86 ESR1 (0.57) ESR1ESR2PSMB1PSMB5PSMB2

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