SCHEMBL8644115

SCHEMBL8644115

CC(N)C(CCCOc1ccc(Cc2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8642303 0.86 PPARG (0.52) LTA4H
SCHEMBL8640498 0.86 LTA4H (0.55) LTA4H
SCHEMBL8641130 0.85 LTA4H (0.56) LTA4H
SCHEMBL8907594 0.83 LTA4H (0.51) LTA4H
Bromide SCHEMBL6049771 0.82 LTA4H (0.56) LTA4HL3MBTL1
Bromide SCHEMBL6049769 0.82 LTA4H (0.56) LTA4HL3MBTL1
SCHEMBL8907826 0.80 LTA4H (0.51) LTA4H
SCHEMBL8639357 0.80 LTA4H (0.52) LTA4HL3MBTL1
SCHEMBL4105743 0.80 ITGB3 (0.57) LTA4HL3MBTL1
SCHEMBL6049753 0.78 LTA4H (0.54) LTA4HL3MBTL1

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
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
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