SCHEMBL8147753

SCHEMBL8147753

C[C@H]1CC[C@H]2C(C)(C)[C@@H](Cl)C(N)CC23Oc2c(cc(Br)c4c2CNC4=O)C[C@]13C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.32
▸ ENTPD5 O75356 1/20 0.32
▸ 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
SCHEMBL8149555 0.91 CETP (0.34) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8149559 0.91 CETP (0.34) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8146476 0.88 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8143387 0.88 CETP (0.33) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8143381 0.88 CETP (0.33) CETPENTPD5ST6GAL1ST3GAL1ST3GAL3
SCHEMBL8146474 0.88 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8133567 0.84 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8133569 0.84 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8140583 0.82 ST6GAL1 (0.31) ST6GAL1
SCHEMBL8139859 0.82 ST6GAL1 (0.31) 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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