SCHEMBL9544054

SCHEMBL9544054

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC1CCCCC1)CC(=O)NCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.45
CTSS P25774 3/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CACNA1B Q00975 1/20 0.38
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL9545016 0.92 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9545024 0.87 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9543889 0.87 CTSK (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9545351 0.87 CTSK (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9543285 0.83 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9544237 0.76 BCHE (0.48) HDAC1BCHEACHE
SCHEMBL9543941 0.76 CTSK (0.48) CTSKCTSSCACNA1B
SCHEMBL9544280 0.73 REN (0.50) CTSKCTSSCACNA1BBCHE
SCHEMBL9544276 0.73 REN (0.50) CTSKCTSSCACNA1BBCHE
SCHEMBL10607920 0.72 PSEN1 (0.49) CTSKCTSSHDAC4HDAC1HDAC6

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed