SCHEMBL17912866

SCHEMBL17912866

c1ccc(CCOc2cccc(OCCc3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAOB P27338 5/20 0.57
MAOA P21397 4/20 0.57
FFAR1 O14842 2/20 0.56
GAA P10253 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
LTA4H P09960 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51

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
SCHEMBL4568905 0.91 KMT2A (0.54) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL2207003 0.91 TAAR1 (0.62) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL7633023 0.91 NPC1 (0.51) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL791296 0.91 MAOB (0.69) NPC1RAB9AMAOBGAA
SCHEMBL19291690 0.91 NPC1 (0.51) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL1070131 0.89 NPC1 (0.73) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL25197061 0.87 DRD2 (0.65) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL6057426 0.87 MAOB (0.69) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL4714928 0.87 FFAR1 (0.54) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL23327746 0.87 MAOB (0.69) NPC1RAB9AMAOBMAOAFFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
EP-3242897-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF C/o Canon Kabushiki Kaisha (JP) 2017-11-15 EP disclosed
WO-2016111380-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2016-07-14 WO disclosed