SCHEMBL8142106

SCHEMBL8142106

COC1C[C@@]23Oc4c5c(cc([N+](=O)[O-])c4C[C@]2(C)[C@@H](C)CC[C@H]3C(C)(C)C1=O)C(=O)NC5

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 2/20 0.32
▸ CETP P11597 1/20 0.31
▸ ST3GAL1 Q11201 1/20 0.31
▸ ST3GAL3 Q11203 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
SCHEMBL8142112 1.00 ST6GAL1 (0.32) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8143497 0.87 ST6GAL1 (0.32) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8141940 0.87 CETP (0.35) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8141943 0.87 CETP (0.35) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8149245 0.84 ST6GAL1 (0.33) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8149241 0.84 ST6GAL1 (0.33) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8142029 0.81 ST6GAL1 (0.39) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8142033 0.81 ST6GAL1 (0.39) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143225 0.80 ST6GAL1 (0.35) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8143232 0.80 ST6GAL1 (0.35) ST6GAL1CETPST3GAL1ST3GAL3

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-6143732-A USED AS ANTIVIRAL AGENT AGAINST INFLUENZA VIRUS SHIONOGI & CO., LTD. (JP) 2000-11-07 — — US disclosed
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