SCHEMBL8639357

SCHEMBL8639357

CC(N)C(C)C(=O)OCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.52
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8637368 0.84 LTA4H (0.55) LTA4H
SCHEMBL8638399 0.83 LTA4H (0.55) LTA4HL3MBTL1
SCHEMBL8644115 0.80 LTA4H (0.51) LTA4HL3MBTL1
SCHEMBL8639333 0.79 LTA4H (0.64) LTA4H
SCHEMBL8635823 0.77 PPARA (0.57) LTA4H
SCHEMBL13696733 0.76 LTA4H (0.54) LTA4HL3MBTL1
Bromide SCHEMBL6049771 0.75 LTA4H (0.56) LTA4HL3MBTL1
SCHEMBL4105743 0.75 ITGB3 (0.57) LTA4HL3MBTL1
Bromide SCHEMBL6049769 0.75 LTA4H (0.56) LTA4HL3MBTL1
SCHEMBL8639936 0.75 LTA4H (0.62) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed