SCHEMBL175580

SCHEMBL175580

CCCCSc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3csc(OCC)n3)cc2)c2ccc(OCc3ccc4cc(F)ccc4n3)cc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.66
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
ALOX5 P09917 2/20 0.53
CYP2D6 P10635 1/20 0.53
PTGS1 P23219 4/20 0.51
LTC4S Q16873 1/20 0.50

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
SCHEMBL170325 0.92 ALOX5AP (0.78) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL174773 0.87 ALOX5AP (0.69) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL4191928 0.82 ALOX5AP (0.78) ALOX5APPTGS1
SCHEMBL170125 0.81 ALOX5AP (0.78) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL167693 0.81 ALOX5AP (0.78) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL175479 0.80 ALOX5AP (0.82) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL170022 0.80 ALOX5AP (0.89) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL1885191 0.80 ALOX5AP (0.81) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6
SCHEMBL167794 0.79 ALOX5AP (1.00) ALOX5APCYP3A4CYP2C9ALOX5PTGS1
SCHEMBL169592 0.79 ALOX5AP (0.81) ALOX5APCYP3A4CYP2C9ALOX5CYP2D6

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