SCHEMBL7782848

SCHEMBL7782848

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
CTSS P25774 4/20 0.49
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ITGB3 P05106 8/20 0.45
ITGA2B P08514 8/20 0.45
REN P00797 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
TLR2 O60603 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
SCHEMBL2804552 0.94 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL12015102 0.94 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997353 0.93 ITGB3 (0.48) CTSKCTSSITGB3ITGA2BTLR2
SCHEMBL13385258 0.90 CTSK (0.50) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997388 0.89 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL17445176 0.89 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997385 0.89 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL17445159 0.88 ITGB3 (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997367 0.88 ITGB3 (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997297 0.88 ITGB3 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133465-A1 AMPHIPHILIC POLYAMINE COMPOUNDS Gene Therapy Systems, Inc. (US) 2001-09-19 EP disclosed
WO-2000031022-A1 AMPHIPHILIC POLYAMINE COMPOUNDS GENE THERAPY SYSTEMS, INC. (US) 2000-06-02 WO disclosed