SCHEMBL3474723

SCHEMBL3474723

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCC3CCCN3C(=O)O)cc12

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.90
ALOX5 P09917 3/20 0.65
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL3469378 1.00 ALOX5AP (0.90) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL502930 0.95 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL10266138 0.95 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL3467194 0.95 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL3462814 0.94 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL4192374 0.94 ALOX5AP (0.94) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL4203820 0.94 ALOX5AP (1.00) ALOX5APALOX5
SCHEMBL4193522 0.93 ALOX5AP (0.85) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL168991 0.93 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL176475 0.93 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9

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-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed