SCHEMBL12820226

SCHEMBL12820226

CC(=O)N[C@H]1CCCCC/C=C\C[C@H](C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.35
▸ BIRC3 Q13489 2/20 0.35
▸ BIRC2 Q13490 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HDAC4 P56524 6/20 0.34
▸ HDAC1 Q13547 6/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ TERF2 Q15554 3/20 0.34
▸ NTSR1 P30989 4/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 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
SCHEMBL12820532 0.85 MEN1 (0.36) XIAPBIRC3BIRC2MEN1HDAC4
SCHEMBL12467633 0.83 PSMB9 (0.39) HDAC1HDAC6NTSR1
SCHEMBL12820175 0.83 MEN1 (0.35) XIAPBIRC3BIRC2MEN1HDAC4
SCHEMBL16938906 0.81 HDAC1 (0.36) HDAC4HDAC1HDAC6NTSR1
SCHEMBL12820534 0.78 CTSB (0.41) XIAPBIRC3BIRC2MEN1
SCHEMBL8352101 0.75 F2 (0.33) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL12820555 0.75 HDAC4 (0.35) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL8220355 0.74 BIRC3 (0.37) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL8003495 0.74 XIAP (0.32) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL8001796 0.74 F2 (0.33) XIAPBIRC3BIRC2HDAC4HDAC1

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-2011034518-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-24 — — WO disclosed
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