SCHEMBL8107430

SCHEMBL8107430

CN(CCCOc1ccc(Cc2ccsc2)cc1)CCC(=O)NS(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.76
ACHE P22303 1/20 0.43

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
Hydrochloric Acid SCHEMBL8107905 0.87 LTA4H (0.58) LTA4HACHE
SCHEMBL8111775 0.87 LTA4H (0.58) LTA4H
Water SCHEMBL8106357 0.87 LTA4H (0.58) LTA4HACHE
SCHEMBL2107118 0.86 LTA4H (1.00) LTA4H
SCHEMBL3494091 0.85 LTA4H (1.00) LTA4H
SCHEMBL8107892 0.83 LTA4H (0.76) LTA4H
SCHEMBL8112098 0.77 LTA4H (0.65) LTA4HACHE
SCHEMBL2108981 0.76 LTA4H (1.00) LTA4HACHE
SCHEMBL3494088 0.76 LTA4H (0.72) LTA4HACHE
Hydrochloric Acid SCHEMBL8113562 0.76 LTA4H (0.63) LTA4HACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162823-A LTA4 hydrolase inhibitors G.D. SEARLE & CO. (US) 2000-12-19 US claimed
WO-1998040354-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO claimed
US-6162823-A LTA4 hydrolase inhibitors G.D. SEARLE & CO. (US) 2000-12-19 US disclosed
WO-1998040354-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed