SCHEMBL9475781

SCHEMBL9475781

CC(c1ccc2ccccc2c1)N(O)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.71
CYP1A2 P05177 2/20 0.55
PTGES O14684 1/20 0.55
LMNA P02545 1/20 0.55
LTA4H P09960 1/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
ALOX5AP P20292 1/20 0.55
LOX P28300 1/20 0.55
EPHX2 P34913 1/20 0.55
PTGS2 P35354 1/20 0.55
LTB4R Q15722 1/20 0.55

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
SCHEMBL17833493 0.86 ALOX5 (0.71) ALOX5
SCHEMBL13696703 0.83 ALOX5 (1.00) ALOX5CYP1A2LMNAPTGS2
SCHEMBL9443921 0.83 ALOX5 (1.00) ALOX5CYP1A2LMNAPTGS2
Potassium SCHEMBL9443933 0.82 ALOX5 (0.97) ALOX5CYP1A2LMNAPTGS2
SCHEMBL9476877 0.81 MMP9 (0.55) ALOX5CYP1A2
SCHEMBL9473489 0.80 ALOX5 (0.80) ALOX5
SCHEMBL13524545 0.79 ALOX5 (1.00) ALOX5
SCHEMBL9374197 0.78 ALOX5 (0.70) ALOX5
SCHEMBL9475050 0.77 ALOX5 (0.80) ALOX5PTGS2
SCHEMBL9475006 0.76 ALOX5 (0.76) ALOX5

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-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0292699-A2 Urea based lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-11-30 EP disclosed