Ouabain

Ouabain

SCHEMBL12841141

C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4C(O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 1.00
▸ TP53 P04637 7/20 1.00
▸ LMNA P02545 5/20 1.00
▸ HIF1A Q16665 5/20 1.00
▸ NPC1 O15118 4/20 1.00
▸ RAB9A P51151 4/20 1.00
▸ GMNN O75496 2/20 1.00
▸ KLF5 Q13887 2/20 1.00
▸ TSHR P16473 2/20 1.00
▸ NFKB1 P19838 2/20 1.00
▸ ATP1A1 P05023 2/20 1.00
▸ ATP1B1 P05026 2/20 1.00
▸ ATP1A3 P13637 2/20 1.00
▸ ATP1B2 P14415 2/20 1.00
▸ ATP1A2 P50993 2/20 1.00
▸ ATP1B3 P54709 2/20 1.00
▸ FXYD2 P54710 2/20 1.00
▸ ATP1A4 Q13733 2/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00

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
Ouabain SCHEMBL14648711 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL2524203 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL14648716 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL24444049 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL15433 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL24951415 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL21960066 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL21960068 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL22824877 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1
Ouabain SCHEMBL18922524 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TP53LMNAHIF1ANPC1

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
WO-2011036557-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR UPTAKE AND INTRACELLULAR DELIVERY OF LIPID PARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-03-31 — — WO disclosed
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