SCHEMBL5082699

SCHEMBL5082699

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 6/20 0.75
ATP1B1 P05026 6/20 0.75
ATP1A3 P13637 6/20 0.75
ATP1B2 P14415 6/20 0.75
ATP1A2 P50993 6/20 0.75
ATP1B3 P54709 6/20 0.75
FXYD2 P54710 6/20 0.75
ATP1A4 Q13733 6/20 0.75
CYP3A4 P08684 3/20 0.75
CYP3A5 P20815 2/20 0.75
AR P10275 1/20 0.75
ZFP91 Q96JP5 1/20 0.75
STAT3 P40763 1/20 0.64
CYP3A7 P24462 1/20 0.64
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL1483855 0.88 ATP1A1 (0.62) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5079321 0.87 ATP1A1 (0.62) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL1483291 0.86 ATP1A1 (0.58) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL15864888 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL21129737 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL23382204 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL19415190 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL21083171 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL165666 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Bufalin SCHEMBL20127236 0.85 ATP1A1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928470-A2 MODULATORS OF HYPOXIA INDUCIBLE FACTOR-1 AND RELATED USES FOR THE TREATMENT OF OCULAR DISORDERS Bionaut Pharmaceuticals (US) 2008-06-11 EP claimed
WO-2007016656-A2 MODULATORS OF HYPOXIA INDUCIBLE FACTOR-1 AND RELATED USES FOR THE TREATMENT OF OCULAR DISORDERS BTG INTERNATIONAL LIMITED (GB) 2007-02-08 WO claimed
EP-1928470-A2 MODULATORS OF HYPOXIA INDUCIBLE FACTOR-1 AND RELATED USES FOR THE TREATMENT OF OCULAR DISORDERS Bionaut Pharmaceuticals (US) 2008-06-11 EP disclosed
WO-2007016656-A2 MODULATORS OF HYPOXIA INDUCIBLE FACTOR-1 AND RELATED USES FOR THE TREATMENT OF OCULAR DISORDERS BTG INTERNATIONAL LIMITED (GB) 2007-02-08 WO disclosed