SCHEMBL13784255

SCHEMBL13784255

COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@H](O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CTSK P43235 4/20 0.43
CTSL P07711 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CAPN1 P07384 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL4318468 1.00 POLB (0.43) POLBCTSKCTSLSMN1; SMN2CTSB
SCHEMBL4318463 1.00 POLB (0.43) POLBCTSKCTSLSMN1; SMN2CTSB
SCHEMBL4318466 1.00 POLB (0.43) POLBCTSKCTSLSMN1; SMN2CTSB
SCHEMBL4327587 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4318521 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4318525 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4318518 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4327583 0.85 POLB (0.47) POLBCTSKSMN1; SMN2
SCHEMBL4450037 0.81 CTSK (0.41) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL4446335 0.81 CTSK (0.41) CTSKCTSLCTSBCTSSCAPN1

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed