SCHEMBL7320388

SCHEMBL7320388

C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SYK P43405 1/20 0.41
PSMB5 P28074 1/20 0.41
NTSR1 P30989 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BACE1 P56817 2/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL9555243 0.83 POLB (0.46) POLBSYKNTSR1L3MBTL1CTSL
SCHEMBL19456479 0.81 POLB (0.47) POLBSYKNTSR1L3MBTL1
SCHEMBL7331832 0.77 CTSS (0.43) POLBSYKNTSR1L3MBTL1CTSS
SCHEMBL7323132 0.77 PPARA (0.46) POLBSYKL3MBTL1CTSSLTA4H
SCHEMBL23491247 0.75 SYK (0.45) POLBSYKNTSR1L3MBTL1MAPT
SCHEMBL23491355 0.75 SYK (0.45) POLBSYKNTSR1L3MBTL1MAPT
SCHEMBL9555246 0.75 POLB (0.53) POLBSYKNTSR1L3MBTL1MAPT
SCHEMBL2499502 0.73 POLB (0.47) POLBSYKL3MBTL1MAPT
SCHEMBL30878162 0.73 POLB (0.47) POLBSYKL3MBTL1MAPT
SCHEMBL30307663 0.73 POLB (0.47) POLBSYKL3MBTL1MAPT

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed