SCHEMBL174773

SCHEMBL174773

CCCCSc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3cccc(OC)n3)cc2)c2ccc(OCc3ccc4cc(F)ccc4n3)cc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.69
PTGS1 P23219 2/20 0.59
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
ALOX5 P09917 1/20 0.55
CYP2D6 P10635 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
SCHEMBL169590 0.91 ALOX5AP (0.83) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL5530568 0.90 ALOX5AP (0.57) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL167693 0.87 ALOX5AP (0.78) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL4191928 0.87 ALOX5AP (0.78) ALOX5APPTGS1
SCHEMBL175580 0.87 ALOX5AP (0.66) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL1192996 0.85 ALOX5AP (0.72) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL169276 0.83 ALOX5AP (0.86) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL170109 0.83 ALOX5AP (0.79) ALOX5APPTGS1CYP3A4CYP2C9ALOX5
SCHEMBL169961 0.82 ALOX5AP (1.00) ALOX5APPTGS1
SCHEMBL169592 0.82 ALOX5AP (0.81) ALOX5APPTGS1CYP3A4CYP2C9ALOX5

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
EP-1943219-B8 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS PANMIRA PHARMACEUTICALS LLC (US) 2012-03-07 EP disclosed