SCHEMBL12820532

SCHEMBL12820532

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ BIRC3 Q13489 3/20 0.34
▸ XIAP P98170 2/20 0.34
▸ BIRC2 Q13490 2/20 0.34
▸ HDAC4 P56524 9/20 0.33
▸ HDAC1 Q13547 9/20 0.33
▸ TERF2 Q15554 3/20 0.32
▸ HDAC6 Q9UBN7 4/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31

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
SCHEMBL8352101 0.90 F2 (0.33) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL12820175 0.90 MEN1 (0.35) MEN1BIRC3XIAPBIRC2HDAC4
SCHEMBL12820226 0.85 XIAP (0.35) MEN1BIRC3XIAPBIRC2HDAC4
SCHEMBL12467641 0.85 PSMB9 (0.36) HDAC1HDAC6
SCHEMBL12468417 0.85 PSMB9 (0.36) HDAC1HDAC6
SCHEMBL15849570 0.85 PSMB9 (0.36) HDAC1HDAC6
SCHEMBL12820555 0.82 HDAC4 (0.35) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL8003495 0.81 XIAP (0.32) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL8001796 0.80 F2 (0.33) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL12820534 0.80 CTSB (0.41) MEN1BIRC3XIAPBIRC2

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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