SCHEMBL20475091

SCHEMBL20475091

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCC3CCCN3C(=O)OC(C)(C)C)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.85
ALOX5 P09917 5/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL1193647 1.00 ALOX5AP (0.85) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL4192668 0.98 ALOX5AP (0.81) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL3469094 0.92 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL176475 0.92 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL168991 0.92 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL3060242 0.91 ALOX5AP (0.85) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL3468699 0.90 ALOX5AP (0.87) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL4188032 0.90 ALOX5AP (0.96) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL4192902 0.89 ALOX5AP (0.84) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL3478677 0.89 ALOX5AP (0.76) 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 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 disclosed