SCHEMBL7330386

SCHEMBL7330386

CC(C)C(NC(=O)C(NC(=O)CCCCCc1ccc(OCc2ccccc2)cc1)C(CO)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.42
PSMB5 P28074 4/20 0.42
PSMB2 P49721 3/20 0.42
SYK P43405 1/20 0.42
CASP1 P29466 1/20 0.40
PSMB8 P28062 2/20 0.40
PSMB9 P28065 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSMB10 P40306 1/20 0.38
KLK5 Q9Y337 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
SCHEMBL7323405 0.95 SYK (0.46) SYKCASP1CTSKRENCTSD
SCHEMBL10376907 0.86 LTA4H (0.43) LTA4H
Hydrochloric Acid SCHEMBL7324002 0.85 LTA4H (0.42) LTA4H
SCHEMBL7323172 0.83 SYK (0.43) PSMB1PSMB5PSMB2SYKPSMB8
SCHEMBL7324428 0.81 LTA4H (0.44) PSMB1PSMB5PSMB2SYKLTA4H
Hydrochloric Acid SCHEMBL7331042 0.79 CASP1 (0.43) CASP1CTSKCTSD
SCHEMBL7319638 0.79 CTSK (0.46) CASP1CTSKRENCTSD
SCHEMBL7323095 0.79 ERAP2 (0.43) CASP1CTSKCTSD
Hydrochloric Acid SCHEMBL7323783 0.78 ERAP2 (0.42) CASP1CTSKCTSD
SCHEMBL7332099 0.77 LNPEP (0.37) CASP1CTSKCTSD

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