SCHEMBL8140919

SCHEMBL8140919

CO[C@@H]1C[C@@]23Oc4c(cc(C(=O)O)c5c4CNC5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C(C)(C)[C@H]1Br

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 2/20 0.32
▸ CETP P11597 1/20 0.30
▸ ST3GAL1 Q11201 1/20 0.30
▸ ST3GAL3 Q11203 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
SCHEMBL8140917 1.00 ST6GAL1 (0.32) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8143351 0.92 ST6GAL1 (0.35) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8143347 0.92 ST6GAL1 (0.35) ST6GAL1CETPST3GAL1ST3GAL3
SCHEMBL8146544 0.89 ST6GAL1 (0.32) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8146547 0.89 ST6GAL1 (0.32) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8139863 0.89 ST6GAL1 (0.31) ST6GAL1CETP
SCHEMBL8139859 0.89 ST6GAL1 (0.31) ST6GAL1CETP
SCHEMBL8148831 0.87 ST6GAL1 (0.30) ST6GAL1
SCHEMBL8148835 0.87 ST6GAL1 (0.30) ST6GAL1
SCHEMBL8148322 0.86 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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