SCHEMBL8510874

SCHEMBL8510874

CCCCCCCCCCCN(CCCCCCCCCCC)C(C)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.52
CYP4Z1 Q86W10 5/20 0.49
ASAH1 Q13510 1/20 0.44
KEAP1 Q14145 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
APAF1 O14727 1/20 0.37
POLB P06746 1/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL8512343 1.00 SLC9A1 (0.52) SLC9A1CYP4Z1ASAH1KEAP1TLR8
SCHEMBL8513369 1.00 SLC9A1 (0.52) SLC9A1CYP4Z1ASAH1KEAP1TLR8
SCHEMBL8510727 1.00 SLC9A1 (0.52) SLC9A1CYP4Z1ASAH1KEAP1TLR8
SCHEMBL8514400 1.00 SLC9A1 (0.52) SLC9A1CYP4Z1ASAH1KEAP1TLR8
SCHEMBL8512096 1.00 SLC9A1 (0.52) SLC9A1CYP4Z1ASAH1KEAP1TLR8
SCHEMBL8513545 1.00 SLC9A1 (0.52) SLC9A1CYP4Z1ASAH1KEAP1TLR8
SCHEMBL8514415 0.99 SLC9A1 (0.51) SLC9A1CYP4Z1ASAH1KEAP1MGAM
SCHEMBL10002572 0.94 SLC9A1 (0.50) SLC9A1CYP4Z1ASAH1KEAP1MGAM
SCHEMBL8514309 0.89 SLC9A1 (0.47) SLC9A1CYP4Z1KEAP1APAF1POLB
SCHEMBL284619 0.83 SLC9A1 (0.49) SLC9A1CYP4Z1KEAP1APAF1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471896-B1 REFRIGERANT OIL FOR FREEZERS AND OPERATING FLUID COMPOSITION FOR FREEZERS JX NIPPON OIL & ENERGY CORP (JP) 2017-05-24 EP disclosed
US-9090806-B2 Refrigerant oil for freezers and operating fluid composition for freezers JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-07-28 US disclosed
US-8889031-B2 Working fluid composition for refrigerator machine and refrigerating machine oil JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-11-18 US disclosed
EP-2740784-A1 Refrigerant oil for freezers and operating fluid composition for freezers JX Nippon Oil & Energy Corporation (JP) 2014-06-11 EP disclosed
EP-2733192-A1 Refrigerant oil for freezers and operating fluid composition for freezers JX Nippon Oil & Energy Corporation (JP) 2014-05-21 EP disclosed
US-20120228541-A1 REFRIGERANT OIL FOR FREEZERS AND OPERATING FLUID COMPOSITION FOR FREEZERS JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-09-13 US disclosed
EP-2471896-A1 REFRIGERANT OIL FOR FREEZERS AND OPERATING FLUID COMPOSITION FOR FREEZERS JX Nippon Oil & Energy Corporation (JP) 2012-07-04 EP disclosed
US-20120132848-A1 WORKING FLUID COMPOSITION FOR REFRIGERATOR MACHINE AND REFRIGERATING MACHINE OIL JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-05-31 US disclosed