SCHEMBL8640498

SCHEMBL8640498

CC(N)C(CCCOc1ccc(Cc2ccsc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.55
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
LNPEP Q9UIQ6 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
RARB P10826 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL8644115 0.86 LTA4H (0.51) LTA4H
SCHEMBL8637368 0.81 LTA4H (0.55) LTA4HPTGS1PTGS2SLC1A3SLC1A2
SCHEMBL8641130 0.81 LTA4H (0.56) LTA4HPTGS1PTGS2SLC1A3SLC1A2
SCHEMBL3494088 0.76 LTA4H (0.72) LTA4H
SCHEMBL8642303 0.75 PPARG (0.52) LTA4HMAPK1ALOX5PPARA
SCHEMBL8907826 0.74 LTA4H (0.51) LTA4HMAPK1RARBPPARA
SCHEMBL3494092 0.73 LTA4H (0.68) LTA4HPTGS1PTGS2
SCHEMBL8907594 0.72 LTA4H (0.51) LTA4HPTGESALOX5RARBPPARA
SCHEMBL2107118 0.71 LTA4H (1.00) LTA4H
Bromide SCHEMBL6049769 0.69 LTA4H (0.56) LTA4HSLC1A3SLC1A2SLC1A1ITGB3

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