SCHEMBL8112178

SCHEMBL8112178

CC(CC(=O)NS(=O)(=O)c1ccccc1)N(C)CCCOc1ccc(Cc2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.57
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HCRTR2 O43614 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8107445 0.85 LTA4H (0.62) LTA4HEGFRERBB2HCRTR2CYSLTR2
Hydrochloric Acid SCHEMBL8107416 0.84 LTA4H (0.61) LTA4HEGFRERBB2HCRTR2CYSLTR2
SCHEMBL5685387 0.84 LTA4H (0.69) LTA4HHCRTR2NPC1POLBRAB9A
SCHEMBL8710875 0.77 LTA4H (0.49) LTA4HEGFRERBB2CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL8711512 0.76 LTA4H (0.49) LTA4HEGFRERBB2CYSLTR2CYSLTR1
SCHEMBL8107892 0.73 LTA4H (0.76) LTA4HNPC1POLBRAB9A
Hydrochloric Acid SCHEMBL8107928 0.73 LTA4H (0.58) LTA4HHCRTR2NPC1POLBRAB9A
SCHEMBL2108222 0.73 LTA4H (1.00) LTA4H
SCHEMBL2108981 0.73 LTA4H (1.00) LTA4HACHE
SCHEMBL5685382 0.73 LTA4H (0.72) 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