SCHEMBL8146261

SCHEMBL8146261

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.48
▸ ENTPD5 O75356 1/20 0.48
▸ PIK3CB P42338 1/20 0.35
▸ ST6GAL1 P15907 3/20 0.33
▸ ST3GAL1 Q11201 2/20 0.33
▸ ST3GAL3 Q11203 2/20 0.33
▸ 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
SCHEMBL8147906 0.86 CETP (0.34) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8147910 0.86 CETP (0.34) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8142180 0.84 ST6GAL1 (0.36) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8142172 0.84 ST6GAL1 (0.36) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143344 0.83 CETP (0.46) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8133338 0.82 ST6GAL1 (0.31) CETPENTPD5ST6GAL1
SCHEMBL8133340 0.82 ST6GAL1 (0.31) CETPENTPD5ST6GAL1
SCHEMBL8146544 0.81 ST6GAL1 (0.32) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143347 0.81 ST6GAL1 (0.35) CETPST6GAL1ST3GAL1ST3GAL3FUT6
SCHEMBL8143351 0.81 ST6GAL1 (0.35) CETPST6GAL1ST3GAL1ST3GAL3FUT6

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
Send feedback