SCHEMBL9448907

SCHEMBL9448907

CCCCOc1ccc2c(c1)CCC(CN(O)C(N)=O)=C2

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.60
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL9214803 0.90 ALOX5 (0.48) ALOX5S1PR1S1PR3
SCHEMBL9448945 0.86 ALOX5 (0.61) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9448870 0.84 ALOX5 (0.48) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9448868 0.83 ALOX5 (0.46) ALOX5S1PR1S1PR3ALOX12PTGS1
SCHEMBL9448809 0.79 ALOX5 (0.46) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729685 0.75 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9218186 0.75 ALOX5 (0.47) ALOX5PTGS2
SCHEMBL9621234 0.74 TP53 (0.44) S1PR1S1PR3
SCHEMBL9167051 0.73 ALOX5 (0.58) ALOX5S1PR1S1PR3PTGS1PTGS2
SCHEMBL2622583 0.73 CYP11B1 (0.49) S1PR1S1PR3PTGS2

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-5254731-A Enzyme inhibitors; leukotriene disorders GRUENENTHAL GMBH (DE) 1993-10-19 US disclosed