SCHEMBL464737

SCHEMBL464737

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
LTA4H P09960 2/20 0.47
ALOX5 P09917 4/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
LAP3 P28838 1/20 0.46
PPARG P37231 4/20 0.46
PPARA Q07869 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARD Q03181 1/20 0.44

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
SCHEMBL4221112 0.89 MEN1 (0.39) PTGS1L3MBTL1
SCHEMBL2176148 0.89 MEN1 (0.39) PTGS1L3MBTL1
SCHEMBL4510553 0.89 MEN1 (0.39) PTGS1L3MBTL1
SCHEMBL718201 0.89 MEN1 (0.39) PTGS1L3MBTL1
SCHEMBL4234514 0.78 ALOX5 (0.55) MAOBLTA4HALOX5PTGS1PTGS2
SCHEMBL771564 0.77 MAOB (0.51) MAOBLTA4HALOX5PTGS1PTGS2
SCHEMBL970613 0.77 TAS2R14 (0.37)
SCHEMBL771563 0.77 MAOB (0.51) MAOBLTA4HALOX5PTGS1PTGS2
SCHEMBL2492807 0.76 MAOB (0.53) MAOBLTA4HALOX5PTGS1PTGS2
SCHEMBL5391773 0.76 NAPRT (0.43)

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
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP disclosed