SCHEMBL5430545

SCHEMBL5430545

CCCCNC(C)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 5/20 0.57
▸ SLC9A1 P19634 7/20 0.50
▸ ASAH1 Q13510 1/20 0.46
▸ BCHE P06276 1/20 0.40
▸ TRPC3 Q13507 1/20 0.40
▸ TRPC4 Q9UBN4 1/20 0.40
▸ TRPC5 Q9UL62 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ MGAM O43451 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL5426873 0.96 CYP4Z1 (0.57) CYP4Z1SLC9A1ASAH1KEAP1
SCHEMBL5418042 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5429113 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5421144 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5429039 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5425508 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5428691 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5425745 0.94 CYP4Z1 (0.59) CYP4Z1SLC9A1ASAH1
SCHEMBL5433713 0.91 CYP4Z1 (0.49) CYP4Z1SLC9A1ASAH1KEAP1APAF1
SCHEMBL28194460 0.82 CYP4Z1 (0.47) CYP4Z1SLC9A1ASAH1MGAMAMY1A

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-8083965-B2 Refrigerating machine oil NIPPON OIL CORPORATION (JP) 2011-12-27 — — US disclosed
US-20070275865-A1 Refrigerating Machine Oil NIPPON OIL CORPORATION (JP) 2007-11-29 — — US disclosed
US-20070257229-A1 Refrigerating Machine Oil Composition NIPPON OIL CORPORATION (JP) 2007-11-08 — — US disclosed
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