SCHEMBL20475101

SCHEMBL20475101

CC(C)(C)CCc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3ncc[nH]3)cc2)c2ccc(OCc3ccccn3)cc12

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.77
CYP2C9 P11712 5/20 0.60
CYP3A4 P08684 4/20 0.60
CYP2D6 P10635 2/20 0.60
ALOX5 P09917 1/20 0.59
PTGS1 P23219 1/20 0.55

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
SCHEMBL169943 0.87 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL20475100 0.84 ALOX5AP (0.73) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL20475141 0.84 ALOX5AP (0.78) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL169960 0.79 ALOX5AP (0.85) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL2107903 0.79 ALOX5AP (0.81) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL169878 0.78 ALOX5AP (0.80) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL169793 0.77 ALOX5AP (0.81) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL170095 0.77 ALOX5AP (0.77) ALOX5APCYP2C9CYP3A4CYP2D6PTGS1
SCHEMBL169407 0.76 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL23641171 0.76 ALOX5AP (0.74) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5

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
WO-2018152405-A1 REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR AUTOIMMUNE PHARMA LLC (US) 2018-08-23 WO claimed