SCHEMBL8107445

SCHEMBL8107445

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.62
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HCRTR2 O43614 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
CTDSP1 Q9GZU7 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
Hydrochloric Acid SCHEMBL8107416 0.99 LTA4H (0.61) LTA4HCYSLTR2CYSLTR1EGFRERBB2
Hydrochloric Acid SCHEMBL8107928 0.88 LTA4H (0.58) LTA4HNPC1POLBRAB9AHCRTR2
SCHEMBL8112098 0.86 LTA4H (0.65) LTA4HCYSLTR2CYSLTR1EGFRERBB2
SCHEMBL8112178 0.85 LTA4H (0.57) LTA4HCYSLTR2CYSLTR1EGFRERBB2
SCHEMBL8710875 0.81 LTA4H (0.49) LTA4HCYSLTR2CYSLTR1EGFRERBB2
Hydrochloric Acid SCHEMBL8711512 0.80 LTA4H (0.49) LTA4HCYSLTR2CYSLTR1EGFRERBB2
SCHEMBL8107892 0.78 LTA4H (0.76) LTA4HNPC1POLBRAB9A
SCHEMBL2108981 0.77 LTA4H (1.00) LTA4H
Hydrochloric Acid SCHEMBL8107931 0.76 LTA4H (0.58) LTA4HNPC1POLBRAB9AHCRTR2
SCHEMBL2108222 0.74 LTA4H (1.00) LTA4H

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