SCHEMBL8710875

SCHEMBL8710875

CC(C)C(CCOc1ccc(Cc2cccs2)cc1)NCCC(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.49
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
POLB P06746 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
BMP1 P13497 1/20 0.35

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 SCHEMBL8711512 0.99 LTA4H (0.49) LTA4HEGFRERBB2CYSLTR2CYSLTR1
SCHEMBL8711557 0.86 LTA4H (0.51) LTA4HEGFRERBB2CYSLTR2CYSLTR1
SCHEMBL8107445 0.81 LTA4H (0.62) LTA4HEGFRERBB2CYSLTR2CYSLTR1
SCHEMBL8715008 0.81 LTA4H (0.49) LTA4HPOLBNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL8107416 0.80 LTA4H (0.61) LTA4HEGFRERBB2CYSLTR2CYSLTR1
SCHEMBL8112178 0.77 LTA4H (0.57) LTA4HEGFRERBB2CYSLTR2CYSLTR1
SCHEMBL5684514 0.76 LTA4H (0.62) LTA4HPOLBNPC1RAB9AALDH1A1
SCHEMBL2108985 0.70 LTA4H (0.69) LTA4HCYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL8107928 0.69 LTA4H (0.58) LTA4HPOLBNPC1RAB9AALDH1A1
SCHEMBL8107892 0.68 LTA4H (0.76) LTA4HPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998040354-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed