SCHEMBL8637368

SCHEMBL8637368

CC(N)C(C)C(=O)OCCCOc1ccc(Cc2ccsc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.55
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LNPEP Q9UIQ6 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
SCHEMBL8639357 0.84 LTA4H (0.52) LTA4H
SCHEMBL8640498 0.81 LTA4H (0.55) LTA4HPTGS1PTGS2SLC1A3SLC1A2
SCHEMBL8638399 0.80 LTA4H (0.55) LTA4HPTGS1PTGS2TRPM8ALDH1A1
SCHEMBL3494088 0.74 LTA4H (0.72) LTA4H
SCHEMBL3494092 0.73 LTA4H (0.68) LTA4HPTGS1PTGS2
SCHEMBL8909853 0.71 LTA4H (0.42) LTA4HPTGS1PTGS2TRPM8SIRT5
SCHEMBL2107118 0.71 LTA4H (1.00) LTA4H
SCHEMBL3494091 0.70 LTA4H (1.00) LTA4H
SCHEMBL22775084 0.69 SLC1A3 (0.42) HRH2HRH1SIRT5SLC1A3SLC1A2
SCHEMBL12347989 0.69 HTT (0.38) LTA4HHRH2HRH1SIRT5ALDH1A1

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