SCHEMBL175505

SCHEMBL175505

CCCCSc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)c2ccc(OCc3ncccc3C)cc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.64
CYP2C9 P11712 5/20 0.56
CYP3A4 P08684 4/20 0.56
PTGS1 P23219 2/20 0.55
CYP2D6 P10635 1/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL1722385 0.91 ALOX5AP (0.78) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL1722206 0.83 ALOX5AP (0.82) ALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL176155 0.80 ALOX5AP (0.84) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL176083 0.79 ALOX5AP (0.82) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL1723339 0.79 ALOX5AP (0.85) ALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL170170 0.78 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL1723927 0.78 ALOX5AP (0.89) ALOX5APCYP2C9CYP3A4PTGS1ALOX5
SCHEMBL175527 0.77 ALOX5AP (0.82) ALOX5APCYP2C9CYP3A4PTGS1
SCHEMBL176172 0.77 ALOX5AP (0.89) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6
SCHEMBL170111 0.76 ALOX5AP (0.70) ALOX5APCYP2C9CYP3A4PTGS1CYP2D6

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-1943219-B8 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS PANMIRA PHARMACEUTICALS LLC (US) 2012-03-07 EP claimed
JP-4705986-B2 2011-06-22 JP claimed