SCHEMBL12378815

SCHEMBL12378815

C=C(N)N(O)[C@H](C)c1cc2ccccc2s1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.74
CYP1A2 P05177 2/20 0.74
PTGES O14684 1/20 0.74
LMNA P02545 1/20 0.74
LTA4H P09960 1/20 0.74
GAA P10253 1/20 0.74
ALOX15 P16050 1/20 0.74
ALOX12 P18054 1/20 0.74
ALOX5AP P20292 1/20 0.74
LOX P28300 1/20 0.74
EPHX2 P34913 1/20 0.74
PTGS2 P35354 1/20 0.74
LTB4R Q15722 1/20 0.74

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
SCHEMBL2396905 0.87 ALOX5 (0.76) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL126156 0.85 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL6601944 0.85 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL18251470 0.85 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL8876686 0.85 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL4209 0.85 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL6335013 0.84 ALOX5 (0.97) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL9602587 0.84 ALOX5 (0.97) ALOX5CYP1A2PTGESLMNALTA4H
Zileuton SCHEMBL28562765 0.84 ALOX5 (0.97) ALOX5CYP1A2PTGESLMNALTA4H
Methylamine SCHEMBL9601432 0.81 ALOX5 (0.77) ALOX5CYP1A2PTGESLMNALTA4H

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
US-8003684-B2 Crystal form and pharmaceutical compositions of (+)-R-zileuton CORNERSTONE THERAPEUTICS, INC. (US) 2011-08-23 US disclosed