SCHEMBL8107892

SCHEMBL8107892

CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(=O)NS(C)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.76
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44

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 SCHEMBL8107931 0.88 LTA4H (0.58) LTA4HNPC1POLBRAB9A
Hydrochloric Acid SCHEMBL8107928 0.88 LTA4H (0.58) LTA4HNPC1POLBRAB9A
SCHEMBL2108222 0.87 LTA4H (1.00) LTA4H
Hydrochloric Acid SCHEMBL8773798 0.86 LTA4H (0.98) LTA4H
SCHEMBL2108955 0.86 LTA4H (1.00) LTA4H
SCHEMBL17833499 0.84 LTA4H (0.83) LTA4H
SCHEMBL8107430 0.83 LTA4H (0.76) LTA4H
SCHEMBL8715008 0.79 LTA4H (0.49) LTA4HNPC1POLBRAB9A
SCHEMBL8107445 0.78 LTA4H (0.62) LTA4HNPC1POLBRAB9A
Hydrochloric Acid SCHEMBL8107416 0.77 LTA4H (0.61) LTA4HNPC1POLBRAB9A

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