SCHEMBL4604393

SCHEMBL4604393

CC(C)(C)NS(=O)(=O)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.77
ALOX5 P09917 3/20 0.72
PTGS1 P23219 1/20 0.72
PTGS2 P35354 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72

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
SCHEMBL2107324 0.91 ALOX5AP (0.81) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108615 0.90 ALOX5AP (0.80) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108478 0.87 ALOX5AP (1.00) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108907 0.86 PTGS1 (0.87) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108514 0.86 ALOX5AP (0.85) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2107877 0.85 PTGS1 (0.86) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9048306 0.85 ALOX5AP (0.84) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2110799 0.85 ALOX5AP (0.81) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL2108396 0.85 ALOX5AP (0.83) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9210941 0.85 ALOX5AP (0.83) ALOX5APALOX5PTGS1PTGS2CYP3A4

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
EP-1871908-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2008-01-02 EP disclosed
WO-2006105439-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION, STROKE. AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2006-10-05 WO disclosed