SCHEMBL21240052

SCHEMBL21240052

CC(=O)NC1C(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C=C(C(=O)O)OC1C(O)C1COC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEU2 Q9Y3R4 6/20 0.33
NEU3 Q9UQ49 5/20 0.33
NEU4 Q8WWR8 5/20 0.33
NEU1 Q99519 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21240051 1.00 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL15312727 0.91 MEN1 (0.32) LMNA
SCHEMBL15312723 0.91 MEN1 (0.32) LMNA
SCHEMBL15312789 0.88
SCHEMBL15312787 0.88
SCHEMBL3682974 0.88 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL3682976 0.88 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL3682978 0.88 NEU2 (0.33) NEU2NEU3NEU4NEU1LMNA
SCHEMBL26839924 0.85
SCHEMBL23069614 0.83 NEU4 (0.30) NEU2NEU3NEU4NEU1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841066-B1 ANTI-INFLUENZA AGENT CONJUGATED TO ANTI-INFLAMMATORY AGENT ACADEMIA SINICA (TW) 2021-02-17 EP disclosed
EP-3524272-A1 ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY Academia Sinica (TW) 2019-08-14 EP disclosed