SCHEMBL9543285

SCHEMBL9543285

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)OC)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSS P25774 2/20 0.43
CACNA1B Q00975 1/20 0.41

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 0.91 CTSK (0.49) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL9543889 0.90 CTSK (0.48) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL7294947 0.86 CTSK (0.45) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL8719646 0.85 CTSK (0.47) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL9545024 0.84 CTSK (0.48) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL9544054 0.83 CTSK (0.45) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL9545351 0.82 CTSK (0.47) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL4665948 0.81 CTSK (0.42) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL5527345 0.81 CTSK (0.42) CTSKHDAC4HDAC1HDAC6CTSS
SCHEMBL5532294 0.80 CTSK (0.42) CTSKHDAC4HDAC1HDAC6CTSS

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