SCHEMBL8139474

SCHEMBL8139474

COC1C[C@@]23Oc4c(ccc5c4CNC5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C(C)(C)C1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.33
▸ ST6GAL1 P15907 2/20 0.33
▸ 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
SCHEMBL8139478 1.00 CETP (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143218 0.90 CETP (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143215 0.90 CETP (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8139853 0.88 ST6GAL1 (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8139854 0.88 ST6GAL1 (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8139863 0.85 ST6GAL1 (0.31) CETPST6GAL1
SCHEMBL8139859 0.85 ST6GAL1 (0.31) CETPST6GAL1
SCHEMBL8148835 0.83 ST6GAL1 (0.30) ST6GAL1
SCHEMBL8148831 0.83 ST6GAL1 (0.30) ST6GAL1
SCHEMBL8149260 0.83 ST6GAL1 (0.34) CETPST6GAL1ST3GAL1ST3GAL3

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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