SCHEMBL9475679

SCHEMBL9475679

CC(c1ccc(C=Cc2ccccc2)s1)N(O)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 1.00
CYP1A2 P05177 2/20 0.50
PTGES O14684 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
ALOX5AP P20292 1/20 0.50
LOX P28300 1/20 0.50
EPHX2 P34913 1/20 0.50
PTGS2 P35354 1/20 0.50
LTB4R Q15722 1/20 0.50

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
SCHEMBL9473852 0.87 ALOX5 (0.77) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9374489 0.87 ALOX5 (0.77) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9474562 0.85 ALOX5 (0.73) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9372899 0.85 ALOX5 (0.73) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9474780 0.84 ALOX5 (0.73) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9380719 0.84 ALOX5 (0.73) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9473471 0.83 ALOX5 (0.70) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9474760 0.77 ALOX5 (0.73) ALOX5
SCHEMBL9474152 0.75 ALOX5 (1.00) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL16021712 0.75 ALOX5 (0.58) ALOX5GAA

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-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed