SCHEMBL2961345

SCHEMBL2961345

COc1ccc(-c2ccc(Cn3c(CC(C(=O)O)(S(C)(=O)=O)S(C)(=O)=O)c(SC(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)cn1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.84
PTGS1 P23219 2/20 0.75
CYP2C9 P11712 3/20 0.72
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 1/20 0.69

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
SCHEMBL9535 0.91 ALOX5AP (1.00) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL30585982 0.91 ALOX5AP (1.00) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL2936036 0.91 ALOX5AP (0.99) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL2961349 0.91 ALOX5AP (0.69) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL2974070 0.90 ALOX5AP (0.87) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL5530857 0.90 ALOX5AP (0.86) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL13767438 0.89 ALOX5AP (0.85) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL13415377 0.89 ALOX5AP (0.90) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
SCHEMBL13415378 0.89 ALOX5AP (0.90) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6
Lithium Ion SCHEMBL2936035 0.87 ALOX5AP (0.87) ALOX5APPTGS1CYP2C9CYP3A4CYP2D6

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-2212312-A2 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITOR Amira Pharmaceuticals, Inc. (US) 2010-08-04 EP disclosed
WO-2009055721-A2 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITOR AMIRA PHARMACEUTICALS, INC. (US) 2009-04-30 WO disclosed