SCHEMBL176138

SCHEMBL176138

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCC3Cc4ccccc4N3C(C)=O)ccc2n1Cc1ccc(-c2ccc(OC)nn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.74
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70

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
SCHEMBL176136 1.00 ALOX5AP (0.74) ALOX5APCYP3A4CYP2C9
SCHEMBL5139047 0.94 ALOX5AP (0.68) ALOX5APCYP3A4CYP2C9
SCHEMBL176188 0.94 ALOX5AP (0.68) ALOX5APCYP3A4CYP2C9
SCHEMBL20475074 0.93 ALOX5AP (0.85) ALOX5APCYP3A4CYP2C9
SCHEMBL169989 0.93 ALOX5AP (0.85) ALOX5APCYP3A4CYP2C9
SCHEMBL13447684 0.91 ALOX5AP (0.68) ALOX5APCYP3A4CYP2C9
SCHEMBL13447683 0.90 ALOX5AP (0.73) ALOX5APCYP3A4CYP2C9
SCHEMBL3057370 0.90 ALOX5AP (0.67) ALOX5APCYP3A4CYP2C9
SCHEMBL3054747 0.87 ALOX5AP (0.79) ALOX5APCYP3A4CYP2C9
SCHEMBL1193620 0.86 ALOX5AP (0.67) ALOX5APCYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018152405-A1 REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR AUTOIMMUNE PHARMA LLC (US) 2018-08-23 WO disclosed
EP-1943219-B8 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS PANMIRA PHARMACEUTICALS LLC (US) 2012-03-07 EP disclosed
EP-1943219-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2008-07-16 EP disclosed
WO-2007056021-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed