SCHEMBL8148050

SCHEMBL8148050

COc1cc2c(c3c1C(=O)NC3)O[C@@]13C[C@@H](Cl)[C@H](Cl)C(C)(C)[C@@H]1CC[C@H](C)[C@@]3(C)C2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.35
▸ ST6GAL1 P15907 2/20 0.32
▸ ST3GAL1 Q11201 1/20 0.30
▸ ST3GAL3 Q11203 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
SCHEMBL8148047 1.00 CETP (0.35) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143360 0.87 ST6GAL1 (0.42) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143357 0.87 ST6GAL1 (0.42) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8146267 0.86 ST6GAL1 (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8146266 0.86 ST6GAL1 (0.33) CETPST6GAL1ST3GAL1ST3GAL3
SCHEMBL8146466 0.83 CETP (0.35) CETPST6GAL1
SCHEMBL8146464 0.83 CETP (0.35) CETPST6GAL1
SCHEMBL8156923 0.82 ST6GAL1 (0.31) CETPST6GAL1
SCHEMBL8156927 0.82 ST6GAL1 (0.31) CETPST6GAL1
SCHEMBL8146474 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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