SCHEMBL8134738

SCHEMBL8134738

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 3/20 0.33
▸ ST3GAL1 Q11201 2/20 0.32
▸ ST3GAL3 Q11203 2/20 0.32
▸ FUT6 P51993 1/20 0.31
▸ FUT5 Q11128 1/20 0.31
▸ CETP P11597 1/20 0.30
▸ ENTPD5 O75356 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
SCHEMBL8134744 1.00 ST6GAL1 (0.33) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8149539 0.91 ST6GAL1 (0.31) ST6GAL1CETPENTPD5
SCHEMBL8149532 0.91 ST6GAL1 (0.31) ST6GAL1CETPENTPD5
SCHEMBL8141881 0.87 CETP (0.34) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8141885 0.87 CETP (0.34) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8146276 0.85 CETP (0.34) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8146273 0.85 CETP (0.34) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8148322 0.84 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8141963 0.84 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8141956 0.84 ST6GAL1 (0.35) 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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