SCHEMBL9493490

SCHEMBL9493490

CC(=O)N(O)C1CCCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
TAOK1 Q7L7X3 2/20 0.46

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
SCHEMBL9490586 0.91 FFAR1 (0.51) NPC1POLBRAB9AGFERPAX8
SCHEMBL9491758 0.89 MAOA (0.47) MAOAMAOBTAOK1
SCHEMBL9490580 0.84 GHSR (0.50) MAOBALOX5PTGS1PTGS2
SCHEMBL9491752 0.81 FFAR1 (0.46) NPC1POLBRAB9AGFERPAX8
SCHEMBL9488819 0.80 FFAR1 (0.51)
SCHEMBL1843521 0.79 FABP4 (0.53) NPC1POLBRAB9AGFERPAX8
SCHEMBL13198517 0.78 MAOA (0.53) MAOAMAOBALOX5
SCHEMBL9490252 0.76 HTT (0.58) RAB9A
SCHEMBL3750778 0.75 FFAR1 (0.53) MAOAMAOB
SCHEMBL3412786 0.75 FFAR1 (0.53) MAOAMAOB

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-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed