SCHEMBL17445176

SCHEMBL17445176

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

nearest known ligand 0.49

Predicted protein targets (top 15)

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
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13997388 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997385 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL23608150 0.94 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1304236 0.94 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7150850 0.94 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997363 0.93 ITGB3 (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997367 0.93 ITGB3 (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL17445170 0.93 ITGB3 (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL17445159 0.93 ITGB3 (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL13997297 0.93 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238697-B2 Polymeric materials and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-19 US disclosed