SCHEMBL6967241

SCHEMBL6967241

CCOC(=O)COc1ccc(Cc2ccccc2-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.52
HRH3 Q9Y5N1 3/20 0.50
ESR1 P03372 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
KCNH2 Q12809 2/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL6962893 0.91 LTA4H (0.53) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL6969234 0.87 LTA4H (0.52) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL8124778 0.87 LTA4H (0.53) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL6968916 0.86 LTA4H (0.53) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7442242 0.84 LTA4H (0.69) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6963820 0.83 LTA4H (0.52) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6958467 0.83 HRH3 (0.51) LTA4HHRH3KDM4EPSMB1PSMB5
SCHEMBL6968972 0.83 LTA4H (0.49) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6961749 0.83 HRH3 (0.53) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7348199 0.82 ESR1 (0.65) LTA4HHRH3ESR1PSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed