SCHEMBL2518238

SCHEMBL2518238

CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(CC(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.89
▸ LMNA P02545 3/20 0.81
▸ TP53 P04637 3/20 0.81
▸ SMN1; SMN2 Q16637 3/20 0.81
▸ PAX8 Q06710 3/20 0.81
▸ THRB P10828 1/20 0.81
▸ ATP1A1 P05023 13/20 0.71
▸ ATP1B1 P05026 13/20 0.71
▸ ATP1B2 P14415 13/20 0.71
▸ ATP1A2 P50993 13/20 0.71
▸ ATP1B3 P54709 13/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ GLA P06280 1/20 0.71
▸ ATP1A3 P13637 1/20 0.71
▸ STAT3 P40763 1/20 0.71
▸ RECQL P46063 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ RORC P51449 1/20 0.71
▸ FXYD2 P54710 1/20 0.71
▸ ATP1A4 Q13733 1/20 0.71

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
Deslanoside SCHEMBL12840817 0.94 MAPT (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL125311 0.94 MAPT (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL125312 0.94 MAPT (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL28142803 0.92 MAPT (0.95) MAPTLMNATP53SMN1; SMN2PAX8
Deslanoside SCHEMBL10633059 0.90 MAPT (0.92) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL23054706 0.90 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL15959375 0.90 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL18947801 0.90 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL20582682 0.90 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8
Lanatoside C SCHEMBL44110 0.90 PAX8 (1.00) MAPTLMNATP53SMN1; SMN2PAX8

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
US-20110250297-A1 Treatment of Hyperproliferative Disorders Using Cardiac Glycosides EPICENTRX, INC. 2011-10-13 — — US disclosed
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