SCHEMBL8006720

SCHEMBL8006720

CC[C@H]1/C=C\CCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H]1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TERF2 Q15554 12/20 0.33
▸ GAA P10253 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 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
SCHEMBL8006698 0.92 TERF2 (0.35) TERF2HDAC4HDAC1
SCHEMBL8001796 0.90 F2 (0.33) HDAC4HDAC1
SCHEMBL12820555 0.84 HDAC4 (0.35) HDAC4HDAC1
SCHEMBL8003495 0.82 XIAP (0.32) HDAC4HDAC1
SCHEMBL8352101 0.81 F2 (0.33) GAAHDAC4HDAC1
SCHEMBL12820175 0.81 MEN1 (0.35) TERF2HDAC4HDAC1
SCHEMBL14201556 0.78 SCN9A (0.31) —
SCHEMBL12856031 0.72 GAA (0.42) TERF2GAACTSDHDAC4HDAC1
SCHEMBL3073353 0.72 CTSB (0.37) GAA
SCHEMBL8104284 0.72 CTSB (0.37) GAA

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
WO-2009139792-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 — — WO disclosed
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