SCHEMBL12820175

SCHEMBL12820175

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ XIAP P98170 2/20 0.33
▸ BIRC3 Q13489 2/20 0.33
▸ BIRC2 Q13490 2/20 0.33
▸ HDAC4 P56524 9/20 0.33
▸ HDAC1 Q13547 9/20 0.33
▸ HDAC6 Q9UBN7 4/20 0.32
▸ TERF2 Q15554 3/20 0.31
▸ SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL12820555 0.92 HDAC4 (0.35) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL8003495 0.91 XIAP (0.32) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL8001796 0.90 F2 (0.33) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL12820532 0.90 MEN1 (0.36) MEN1XIAPBIRC3BIRC2HDAC4
SCHEMBL12820180 0.84 BIRC3 (0.34) MEN1XIAPBIRC3BIRC2HDAC4
SCHEMBL12820226 0.83 XIAP (0.35) MEN1XIAPBIRC3BIRC2HDAC4
SCHEMBL8006698 0.82 TERF2 (0.35) HDAC4HDAC1TERF2
SCHEMBL8006720 0.81 TERF2 (0.33) HDAC4HDAC1TERF2
SCHEMBL8352101 0.80 F2 (0.33) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL12820534 0.78 CTSB (0.41) MEN1XIAPBIRC3BIRC2

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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