SCHEMBL16119153

SCHEMBL16119153

C=CC(=O)[C@H](C[C@@H]1[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSS P25774 5/20 0.46
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CACNA1B Q00975 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
BTK Q06187 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16119291 0.85 CTSK (0.60) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16228690 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16119112 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL18325174 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16228689 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL18327531 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16228693 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16228691 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16119338 0.84 CTSK (0.49) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16119134 0.83 CTSK (0.44) 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-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed