SCHEMBL7358989

SCHEMBL7358989

CC(CCOc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.49
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
ACACB O00763 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6963610 0.92 HRH3 (0.48) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL7351952 0.91 LTA4H (0.47) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL7447035 0.85 PSMB1 (0.64) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6963616 0.84 LTA4H (0.52) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL6957263 0.84 ACACB (0.45) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7348634 0.83 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6969448 0.83 LTA4H (0.50) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL7349031 0.82 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL6956973 0.82 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HTT
SCHEMBL6961402 0.82 LTA4H (0.48) LTA4HPSMB1PSMB5PSMB2HTT

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-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
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed