SCHEMBL8475688

SCHEMBL8475688

Cc1ccc(C(=O)Oc2cccc(C3=C(C(=O)c4ccc(OCCCN5CCCCC5)cc4)c4ccc(OC(=O)c5ccc(C)cc5)cc4CC3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
HRH3 Q9Y5N1 3/20 0.48
KCNH2 Q12809 2/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.46
HRH1 P35367 1/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CACNA1B Q00975 1/20 0.43
GCGR P47871 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH4 Q9H3N8 1/20 0.42

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 0.90 ESR1 (0.73) ESR1ESR2HRH3KDM4EALDH1A1
SCHEMBL7112996 0.89 ESR1 (0.66) ESR1ESR2HRH3BCHEACHE
SCHEMBL8472430 0.87 ESR1 (0.71) ESR1ESR2HRH3BCHEACHE
SCHEMBL8478033 0.85 ESR1 (0.68) ESR1ESR2KDM4EALDH1A1HRH4
SCHEMBL7105763 0.84 ESR1 (0.72) ESR1ESR2HRH3KDM4EALDH1A1
SCHEMBL8476709 0.84 ESR1 (0.67) ESR1ESR2HRH3EBPSIGMAR1
Hydrochloric Acid SCHEMBL7153807 0.84 ESR1 (0.71) ESR1ESR2HRH3EBPSIGMAR1
SCHEMBL7110414 0.83 ESR1 (0.71) ESR1ESR2HRH3EBPSIGMAR1
SCHEMBL8582541 0.83 ESR1 (0.64) ESR1ESR2HRH3KCNH2ACHE
SCHEMBL8477415 0.83 ESR1 (0.65) ESR1ESR2HRH3KDM4EALDH1A1

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