Lanatoside C

Lanatoside C

SCHEMBL18947801

CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[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 →

Known targets — ChEMBL curated mechanism

ATP1A1ATP1A2ATP1A3ATP1A4ATP1B1ATP1B2ATP1B3FXYD2

The experimentally established mechanism targets of Lanatoside C. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 known ✓ P05023 12/20 0.71
▸ ATP1B1 known ✓ P05026 12/20 0.71
▸ ATP1A2 known ✓ P50993 12/20 0.71
▸ ATP1B2 known ✓ P14415 11/20 0.71
▸ ATP1B3 known ✓ P54709 11/20 0.71
▸ ATP1A3 known ✓ P13637 1/20 0.71
▸ FXYD2 known ✓ P54710 1/20 0.71
▸ ATP1A4 known ✓ Q13733 1/20 0.71
▸ PAX8 Q06710 3/20 1.00
▸ LMNA P02545 3/20 1.00
▸ TP53 P04637 3/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ THRB P10828 1/20 1.00
▸ MAPT P10636 1/20 0.89
▸ NPC1 O15118 2/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ GLA P06280 1/20 0.71
▸ STAT3 P40763 1/20 0.71
▸ RECQL P46063 1/20 0.71
▸ RORC P51449 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
Lanatoside C SCHEMBL20582682 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
Lanatoside C SCHEMBL18223891 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
Lanatoside C SCHEMBL18277653 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
Lanatoside C SCHEMBL18364709 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
Lanatoside C SCHEMBL44110 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
Lanatoside C SCHEMBL23054706 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
Lanatoside C SCHEMBL15959375 1.00 PAX8 (1.00) PAX8LMNATP53SMN1; SMN2THRB
SCHEMBL18949552 0.97 PAX8 (0.94) PAX8LMNATP53SMN1; SMN2THRB
SCHEMBL24837992 0.97 PAX8 (0.94) PAX8LMNATP53SMN1; SMN2THRB
SCHEMBL20251039 0.97 PAX8 (0.94) PAX8LMNATP53SMN1; SMN2THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675623-B2 Non-surgical method of treatment for cataract THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-9675623-B2 Non-surgical method of treatment for cataract THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
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