SCHEMBL18823351

SCHEMBL18823351

C[C@H](CC[C@@H](O)C(C)(C)O)C1CC[C@@]2(C)C3CCC4C(CC[C@H]([N+](=O)[O-])C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.41
▸ TOP2B Q02880 6/20 0.41
▸ ACHE P22303 3/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ HSD11B2 P80365 1/20 0.41
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ FNTA P49354 2/20 0.40
▸ FNTB P49356 2/20 0.40
▸ NR1H4 Q96RI1 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CRYAB P02511 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL18823626 0.79 PRKAG1 (0.56) TOP2ATOP2BACHEPRKAG1PRKAA2
Bryodulcosigenin SCHEMBL18805155 0.70 PRKAG1 (0.71) TOP2ATOP2BACHEPRKAG1PRKAA2
SCHEMBL18823677 0.67 PRKAG1 (0.80) PRKAG1PRKAA2PRKAB1
SCHEMBL23781798 0.67 EBP (0.43) FNTAFNTB
SCHEMBL5824299 0.67 HSD11B1 (0.61) TOP2ATOP2BACHEHSD11B1HSD11B2
SCHEMBL18823922 0.66 PRKAG1 (0.48) TOP2ATOP2BACHEPRKAG1PRKAA2
SCHEMBL17431782 0.66 HSD11B1 (0.55) TOP2ATOP2BACHEHSD11B1HSD11B2
SCHEMBL17428529 0.66 HSD11B1 (0.44) TOP2ATOP2BACHEHSD11B1HSD11B2
SCHEMBL13642319 0.63 HSD11B1 (0.62) TOP2ATOP2BACHEHSD11B1HSD11B2
3Beta,24,25-Trihydroxycycloartane SCHEMBL3306653 0.63 HSD11B1 (0.76) TOP2ATOP2BACHEHSD11B1HSD11B2

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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