SCHEMBL19612418

SCHEMBL19612418

COc1cc2cc(OCCc3ccccc3)ccc2cc1OCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.49
EBP Q15125 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 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
SCHEMBL19612463 1.00 SIGMAR1 (0.49) SIGMAR1EBPTMEM97CYP11B1CYP11B2
SCHEMBL19612474 0.86 CYP11B1 (0.56) SIGMAR1EBPTMEM97CYP11B1CYP11B2
SCHEMBL17912812 0.85 NPC1 (0.47) NPC1RAB9AMAOAMAOB
SCHEMBL17912818 0.85 NPC1 (0.47) NPC1RAB9AMAOAMAOB
SCHEMBL17912811 0.85 RAB9A (0.49) CYP11B1CYP11B2NPC1RAB9AMAOA
SCHEMBL17912829 0.85 RAB9A (0.49) CYP11B1CYP11B2NPC1RAB9AMAOA
SCHEMBL19612452 0.82 NPC1 (0.47) NPC1RAB9AMAOAMAOB
SCHEMBL17912846 0.82 NPC1 (0.47) NPC1RAB9AMAOAMAOB
SCHEMBL19612478 0.82 ALOX5 (0.65) NPC1RAB9APDGFRBPDGFRAMAOB
SCHEMBL19612485 0.82 ALOX5 (0.65) NPC1RAB9APDGFRBPDGFRAMAOB

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
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