SCHEMBL8134841

SCHEMBL8134841

C[C@H]1CC[C@H]2C(C)(C)C(Br)CC[C@]23Oc2c(cc([N+](=O)[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 0.33
▸ ST3GAL3 Q11203 2/20 0.33
▸ CETP P11597 2/20 0.32
▸ ENTPD5 O75356 1/20 0.32
▸ 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
SCHEMBL8147297 0.89 ST6GAL1 (0.32) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143344 0.87 CETP (0.46) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8142417 0.85 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8141101 0.84 ST6GAL1 (0.37) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8141098 0.84 ST6GAL1 (0.37) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8143232 0.84 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3CETPFUT6
SCHEMBL8143225 0.84 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3CETPFUT6
SCHEMBL8134300 0.82 ST6GAL1 (0.34) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8134298 0.82 ST6GAL1 (0.34) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8142146 0.82 ST6GAL1 (0.31) ST6GAL1

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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