SCHEMBL17912816

SCHEMBL17912816

Clc1cc2cc(OCc3ccccc3)ccc2cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
MRGPRX4 Q96LA9 2/20 0.57
CYP3A4 P08684 1/20 0.50
MAOB P27338 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
MTNR1A P48039 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LCK P06239 1/20 0.47

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
SCHEMBL17912828 1.00 ALOX5 (0.65) ALOX5MRGPRX4CYP3A4MAOBNPC1
SCHEMBL17658995 0.83 ALOX5 (0.58) ALOX5MRGPRX4MAOBNPC1RAB9A
SCHEMBL21327244 0.83 ALOX5 (0.58) ALOX5MRGPRX4MAOBNPC1RAB9A
SCHEMBL8984340 0.83 ALOX5 (0.92) ALOX5MRGPRX4CYP3A4MAOBNPC1
SCHEMBL17912846 0.82 NPC1 (0.47) ALOX5MRGPRX4MAOBNPC1RAB9A
SCHEMBL19612452 0.82 NPC1 (0.47) ALOX5MRGPRX4MAOBNPC1RAB9A
SCHEMBL28662350 0.81 ALOX5 (0.89) ALOX5MRGPRX4CYP3A4MAOBNPC1
SCHEMBL629418 0.81 ALOX5 (0.65) ALOX5MRGPRX4CYP3A4MAOBNPC1
SCHEMBL629661 0.81 ALOX5 (0.65) ALOX5MRGPRX4CYP3A4MAOBNPC1
SCHEMBL19612216 0.81 ALOX5 (0.65) ALOX5CYP3A4MAOBNPC1RAB9A

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