SCHEMBL8133338

SCHEMBL8133338

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 1/20 0.31
▸ CETP P11597 1/20 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
SCHEMBL8133340 1.00 ST6GAL1 (0.31) ST6GAL1CETPENTPD5
SCHEMBL8147744 0.86 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8147742 0.86 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8146464 0.86 CETP (0.35) ST6GAL1CETP
SCHEMBL8146466 0.86 CETP (0.35) ST6GAL1CETP
SCHEMBL8146544 0.85 ST6GAL1 (0.32) ST6GAL1
SCHEMBL8146547 0.85 ST6GAL1 (0.32) ST6GAL1
SCHEMBL8142417 0.84 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8134738 0.84 ST6GAL1 (0.33) ST6GAL1CETPENTPD5
SCHEMBL8147910 0.84 CETP (0.34) ST6GAL1CETPENTPD5

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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