SCHEMBL16639055

SCHEMBL16639055

CCOC(=O)[C@]12C[C@@H]1/C=C\CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.32

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
SCHEMBL16938902 0.88 HDAC4 (0.32) POLB
SCHEMBL8002864 0.86 ADRB3 (0.36) —
SCHEMBL1645088 0.86 ADRB3 (0.36) —
SCHEMBL1683122 0.86 ADRB3 (0.36) —
SCHEMBL8005984 0.86 ADRB3 (0.36) —
SCHEMBL3792590 0.86 ADRB3 (0.36) —
SCHEMBL1683120 0.86 ADRB3 (0.36) —
SCHEMBL13059221 0.86 ADRB3 (0.36) —
SCHEMBL11975940 0.85 HDAC4 (0.33) POLB
SCHEMBL8249373 0.84 DPP4 (0.37) POLB

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-2364310-B1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2015-07-29 — — EP disclosed
EP-2374812-B1 4-amino-4-oxobutanoyl Peptides as Inhibitors of Viral Replication ACHILLION PHARMACEUTICALS INC (US) 2015-04-15 — — EP disclosed
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