Argentatine A

Argentatine A

SCHEMBL18495437

CC1(C)C(=O)CC[C@]23CC24CCC2(C)C([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)C4CCC13

nearest known ligand 0.48

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.48
▸ HSD11B1 P28845 2/20 0.38
▸ ATP1A1 P05023 2/20 0.36
▸ ATP1B1 P05026 2/20 0.36
▸ ATP1A3 P13637 2/20 0.36
▸ ATP1B2 P14415 2/20 0.36
▸ ATP1A2 P50993 2/20 0.36
▸ ATP1B3 P54709 2/20 0.36
▸ FXYD2 P54710 2/20 0.36
▸ ATP1A4 Q13733 2/20 0.36
▸ NR1H4 Q96RI1 4/20 0.36
▸ ABCB1 P08183 1/20 0.33
▸ CES2 O00748 2/20 0.32
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30

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
Argentatine A SCHEMBL30836078 1.00 TYR (0.48) TYRHSD11B1ATP1A1ATP1B1ATP1A3
Argentatine A SCHEMBL18495439 1.00 TYR (0.48) TYRHSD11B1ATP1A1ATP1B1ATP1A3
Argentatine A SCHEMBL20279380 1.00 TYR (0.48) TYRHSD11B1ATP1A1ATP1B1ATP1A3
Argentatine A SCHEMBL20888305 1.00 TYR (0.48) TYRHSD11B1ATP1A1ATP1B1ATP1A3
Argentatine A SCHEMBL29732482 1.00 TYR (0.48) TYRHSD11B1ATP1A1ATP1B1ATP1A3
SCHEMBL13035608 0.90 TYR (0.51) TYRATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL15631024 0.90 TYR (0.51) TYRATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL18197925 0.90 TYR (0.51) TYRATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL22787150 0.87 TYR (0.46) TYRABCB1
SCHEMBL24068198 0.87 TYR (0.46) TYRATP1A1ATP1B1ATP1A3ATP1B2

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-2017021852-A1 METHOD FOR THE SEPARATION OF THE ISOPRENIC CONSTITUENTS OF GUAYULE VERSALIS S.P.A. (IT) 2017-02-09 — — WO disclosed
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