SCHEMBL7351952

SCHEMBL7351952

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.47
ACACB O00763 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HRH1 P35367 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL7358989 0.91 LTA4H (0.49) LTA4HACACBPSMB1PSMB5PSMB2
SCHEMBL6963610 0.90 HRH3 (0.48) LTA4HACACBPSMB1PSMB5PSMB2
SCHEMBL7349031 0.84 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL6957263 0.84 ACACB (0.45) LTA4HACACBPSMB1PSMB5PSMB2
SCHEMBL7447035 0.83 PSMB1 (0.64) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7348634 0.82 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6969448 0.81 LTA4H (0.50) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL6963616 0.81 LTA4H (0.52) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL6957785 0.81 LTA4H (0.46) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL6956973 0.81 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2KDM4E

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