Bufogenin

Bufogenin

SCHEMBL4528502

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132.C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 7/20 0.72
ATP1B1 P05026 7/20 0.72
ATP1A3 P13637 7/20 0.72
ATP1B2 P14415 7/20 0.72
ATP1A2 P50993 7/20 0.72
ATP1B3 P54709 7/20 0.72
FXYD2 P54710 7/20 0.72
ATP1A4 Q13733 7/20 0.72
CYP3A4 P08684 3/20 0.72
CYP3A5 P20815 2/20 0.72
AR P10275 1/20 0.72
ZFP91 Q96JP5 1/20 0.72
CYP3A7 P24462 1/20 0.52
STAT3 P40763 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PAX8 Q06710 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
Bufogenin SCHEMBL309406 1.00 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL16628192 1.00 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL1652389 1.00 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL8168075 1.00 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL309405 1.00 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL21840080 0.99 ATP1A1 (0.70) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL9098303 0.98 ATP1A1 (0.69) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL10587453 0.97 ATP1A1 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL9752159 0.97 ATP1A1 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufogenin SCHEMBL17652299 0.97 ATP1A1 (0.68) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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-20090093976-A1 METHOD FOR CHARACTERIZING THE ENDURANCE LIMIT OF A PART FROM ITS SURFACE PROFILE AIRBUS FRANCE (FR) 2009-04-09 US disclosed
EP-1991853-A1 METHOD FOR CHARACTERIZING THE ENDURANCE LIMIT OF A PART FROM ITS SURFACE PROFILE AIRBUS France (FR) 2008-11-19 EP disclosed
WO-2007101939-A1 METHOD FOR CHARACTERIZING THE ENDURANCE LIMIT OF A PART FROM ITS SURFACE PROFILE AIRBUS FRANCE (FR) 2007-09-13 WO disclosed