SCHEMBL8139440

SCHEMBL8139440

CO[C@@H]1CC(C)(C)[C@@H]2CC[C@H](C)[C@@]3(C)Cc4cc(O)c5c(c4O[C@@]23C1)CNC5=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.40
▸ ENTPD5 O75356 1/20 0.36
▸ ST6GAL1 P15907 3/20 0.36
▸ ST3GAL1 Q11201 2/20 0.34
▸ ST3GAL3 Q11203 2/20 0.34
▸ FUT6 P51993 1/20 0.33
▸ FUT5 Q11128 1/20 0.33

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
SCHEMBL8139438 1.00 CETP (0.40) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8149505 0.87 CETP (0.36) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8148100 0.83 ST6GAL1 (0.37) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8142827 0.83 ST6GAL1 (0.37) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8148101 0.83 ST6GAL1 (0.37) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8142828 0.83 ST6GAL1 (0.37) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8134286 0.82 ST6GAL1 (0.38) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8134285 0.82 ST6GAL1 (0.38) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8139537 0.82 ST6GAL1 (0.41) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8139540 0.82 ST6GAL1 (0.41) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3

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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