SCHEMBL8141101

SCHEMBL8141101

C[C@H]1CC[C@H]2C(C)(C)[C@@H](O)[C@H](Cl)C[C@]23Oc2c(cc([N+](=O)[O-])c4c2CNC4=O)C[C@]13C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 3/20 0.37
▸ ST3GAL1 Q11201 2/20 0.34
▸ ST3GAL3 Q11203 2/20 0.34
▸ FUT6 P51993 1/20 0.31
▸ FUT5 Q11128 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
SCHEMBL8141098 1.00 ST6GAL1 (0.37) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8142383 0.88 ST6GAL1 (0.38) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8142381 0.88 ST6GAL1 (0.38) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8134298 0.87 ST6GAL1 (0.34) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8142146 0.86 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8142151 0.86 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8149541 0.85 ST6GAL1 (0.36) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8149538 0.85 ST6GAL1 (0.36) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8147297 0.85 ST6GAL1 (0.32) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8134841 0.84 ST6GAL1 (0.33) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5

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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