SCHEMBL8139853

SCHEMBL8139853

C[C@H]1CC[C@H]2C(C)(C)C(Br)C(Cl)C[C@]23Oc2c(ccc4c2CNC4=O)C[C@]13C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 2/20 0.33
▸ ST3GAL1 Q11201 1/20 0.32
▸ ST3GAL3 Q11203 1/20 0.32
▸ CETP P11597 2/20 0.30
▸ ENTPD5 O75356 1/20 0.30

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
SCHEMBL8139854 1.00 ST6GAL1 (0.33) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8139478 0.88 CETP (0.33) ST6GAL1ST3GAL1ST3GAL3CETP
SCHEMBL8139474 0.88 CETP (0.33) ST6GAL1ST3GAL1ST3GAL3CETP
SCHEMBL8146304 0.85 ST6GAL1 (0.39) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8146306 0.85 ST6GAL1 (0.39) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8148101 0.84 ST6GAL1 (0.37) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8148100 0.84 ST6GAL1 (0.37) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8147902 0.84 CETP (0.35) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8147904 0.84 CETP (0.35) ST6GAL1ST3GAL1ST3GAL3CETPENTPD5
SCHEMBL8143218 0.84 CETP (0.33) ST6GAL1ST3GAL1ST3GAL3CETP

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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