SCHEMBL8142047

SCHEMBL8142047

C[C@H]1CC[C@H]2C(C)(C)[C@@H](Br)[C@H](O)C[C@]23Oc2c4c(cc(C(F)(F)F)c2C[C@]13C)C(=O)NC4

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 3/20 0.41
▸ ST3GAL1 Q11201 2/20 0.38
▸ ST3GAL3 Q11203 2/20 0.38
▸ FUT6 P51993 1/20 0.33
▸ FUT5 Q11128 1/20 0.33
▸ KDR P35968 2/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ MET P08581 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ EPHA2 P29317 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ FRK P42685 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL8142046 1.00 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8147295 0.92 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8147293 0.92 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8141835 0.87 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8141838 0.87 ST6GAL1 (0.41) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8133550 0.87 ST6GAL1 (0.38) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8133552 0.87 ST6GAL1 (0.38) ST6GAL1ST3GAL1ST3GAL3FUT6FUT5
SCHEMBL8149233 0.86 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3CETP
SCHEMBL8149229 0.86 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3CETP
SCHEMBL8149271 0.82 ST6GAL1 (0.35) ST6GAL1ST3GAL1ST3GAL3

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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