SCHEMBL8146466

SCHEMBL8146466

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.35
▸ NQO2 P16083 1/20 0.30
▸ ST6GAL1 P15907 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
SCHEMBL8146464 1.00 CETP (0.35) CETPNQO2ST6GAL1
SCHEMBL8147742 0.87 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8147744 0.87 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8133340 0.86 ST6GAL1 (0.31) CETPST6GAL1
SCHEMBL8133338 0.86 ST6GAL1 (0.31) CETPST6GAL1
SCHEMBL8142417 0.85 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8143360 0.84 ST6GAL1 (0.42) CETPST6GAL1
SCHEMBL8143357 0.84 ST6GAL1 (0.42) CETPST6GAL1
SCHEMBL8148047 0.83 CETP (0.35) CETPST6GAL1
SCHEMBL8148050 0.83 CETP (0.35) CETPST6GAL1

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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