SCHEMBL4594187

SCHEMBL4594187

C=CCn1c(CC(C)(C)C(=O)O)c(CCC(C)(C)C=O)c2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 19/20 0.58
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX5 P09917 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 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
SCHEMBL4594620 0.91 ALOX5AP (0.69) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL4594756 0.88 ALOX5AP (0.76) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL4593344 0.88 ALOX5AP (0.68) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL4595050 0.87 ALOX5AP (0.67) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL5986954 0.87 ALOX5AP (0.67) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL4594316 0.87 ALOX5AP (0.67) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL4593700 0.86 ALOX5AP (0.61) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL2106719 0.83 PTGS1 (0.77) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL4593233 0.81 ALOX5AP (0.65) ALOX5APPTGS1PTGS2CYP3A4ALOX5
SCHEMBL2107903 0.80 ALOX5AP (0.81) ALOX5APPTGS1PTGS2CYP3A4ALOX5

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 6 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
EP-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 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
EP-1579010-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2005-09-28 EP disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed
WO-2004035741-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2004-04-29 WO disclosed