SCHEMBL6957785

SCHEMBL6957785

CCOC(=O)COc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.46
KDM4E B2RXH2 2/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
PTPN1 P18031 1/20 0.43
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 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
SCHEMBL8146653 0.88 LTA4H (0.56) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL6963616 0.87 LTA4H (0.52) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6961402 0.86 LTA4H (0.48) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7447035 0.84 PSMB1 (0.64) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7349031 0.83 LTA4H (0.49) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL7348634 0.82 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6969448 0.82 LTA4H (0.50) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL6956973 0.81 LTA4H (0.49) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL7351952 0.81 LTA4H (0.47) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL7358989 0.80 LTA4H (0.49) LTA4HKDM4EPSMB1PSMB5PSMB2

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 6 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-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed