SCHEMBL12820555

SCHEMBL12820555

CC[C@H]1/C=C\CCCCC[C@H](NC(=O)OC)C(=O)N2CCC[C@H]2C(=O)NC1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 10/20 0.35
▸ HDAC1 Q13547 10/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.33
▸ XIAP P98170 2/20 0.33
▸ BIRC3 Q13489 2/20 0.33
▸ BIRC2 Q13490 2/20 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
SCHEMBL8003495 0.94 XIAP (0.32) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL8001796 0.93 F2 (0.33) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL12820175 0.92 MEN1 (0.35) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL8006698 0.85 TERF2 (0.35) HDAC4HDAC1
SCHEMBL8006720 0.84 TERF2 (0.33) HDAC4HDAC1
SCHEMBL8352101 0.83 F2 (0.33) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL12820532 0.82 MEN1 (0.36) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL12820180 0.76 BIRC3 (0.34) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL12820226 0.75 XIAP (0.35) HDAC4HDAC1HDAC6XIAPBIRC3
SCHEMBL8172095 0.74 CTSB (0.39) —

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
Send feedback