SCHEMBL12771027

SCHEMBL12771027

C=CCCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
PRCP P42785 1/20 0.37
TRHR P34981 2/20 0.37
ACE P12821 1/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 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
SCHEMBL12820516 0.91 HDAC4 (0.42) HDAC4HDAC1PRCPACEF2
SCHEMBL12820514 0.89 HDAC4 (0.41) HDAC4HDAC1PRCPACEDPP4
SCHEMBL8281588 0.87 HDAC4 (0.40) HDAC4HDAC1
SCHEMBL8293879 0.87 HDAC4 (0.40) HDAC4HDAC1
SCHEMBL13766136 0.85 ITGB3 (0.47) HDAC4HDAC1ACEF2PRSS1
SCHEMBL1445009 0.81 HDAC4 (0.51) HDAC4HDAC1ITGB3
SCHEMBL2812234 0.81 HDAC4 (0.51) HDAC4HDAC1ITGB3
SCHEMBL6913804 0.80 TRHR (0.36) TRHR
SCHEMBL4257792 0.80 HDAC4 (0.49) HDAC4HDAC1ITGB3
SCHEMBL4257798 0.80 HDAC4 (0.49) HDAC4HDAC1ITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305697-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 EP disclosed