SCHEMBL3638992

SCHEMBL3638992

C=CCC(O)(CC(C)N(C(=O)O)[C@@H](C)c1ccc(Br)cc1)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33

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
SCHEMBL3638986 1.00 ALOX5 (0.33) ALOX5
SCHEMBL3638990 1.00 ALOX5 (0.33) ALOX5
SCHEMBL13953360 0.89 CACNA1G (0.33) ALOX5
SCHEMBL959435 0.89 CACNA1G (0.33) ALOX5
SCHEMBL959437 0.89 PRCP (0.30)
SCHEMBL959436 0.82
SCHEMBL1904136 0.74 HTT (0.35)
SCHEMBL3654272 0.73 ALOX5 (0.35) ALOX5
SCHEMBL3654268 0.73 ALOX5 (0.35) ALOX5
SCHEMBL15355391 0.72 KMT2A (0.43) ALOX5

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
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed