SCHEMBL18823626

SCHEMBL18823626

C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H]([N+](=O)[O-])C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 8/20 0.56
▸ PRKAA2 P54646 8/20 0.56
▸ PRKAB1 Q9Y478 8/20 0.56
▸ TOP2A P11388 6/20 0.48
▸ TOP2B Q02880 6/20 0.48
▸ ACHE P22303 3/20 0.47
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CDC25B P30305 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
Bryodulcosigenin SCHEMBL18805155 0.88 PRKAG1 (0.71) PRKAG1PRKAA2PRKAB1TOP2ATOP2B
SCHEMBL18823677 0.84 PRKAG1 (0.80) PRKAG1PRKAA2PRKAB1
SCHEMBL18823922 0.82 PRKAG1 (0.48) PRKAG1PRKAA2PRKAB1TOP2ATOP2B
SCHEMBL18823332 0.82 PRKAG1 (0.40) PRKAG1PRKAA2PRKAB1TOP2ATOP2B
SCHEMBL18805316 0.81 PRKAG1 (0.60) PRKAG1PRKAA2PRKAB1
Cabenoside D SCHEMBL18805159 0.79 PRKAG1 (0.49) PRKAG1PRKAA2PRKAB1TOP2ATOP2B
Cabenoside D SCHEMBL30340049 0.79 PRKAG1 (0.49) PRKAG1PRKAA2PRKAB1TOP2ATOP2B
SCHEMBL18823351 0.79 TOP2A (0.41) PRKAG1PRKAA2PRKAB1TOP2ATOP2B
SCHEMBL18818128 0.78 PRKAG1 (0.56) PRKAG1PRKAA2PRKAB1
SCHEMBL18823457 0.78 PRKAG1 (0.36) PRKAG1PRKAA2PRKAB1TOP2ATOP2B

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-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 — — WO disclosed
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