SCHEMBL7323172

SCHEMBL7323172

CC(C)C(NC(=O)C(NC(=O)CCC(=O)CCc1ccc(OCc2ccccc2)cc1)C(C)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
CTSD P07339 4/20 0.43
REN P00797 1/20 0.43
CTSK P43235 3/20 0.41
CTSB P07858 1/20 0.41
PSMB1 P20618 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMB8 P28062 2/20 0.41
PSMB5 P28074 2/20 0.41
CTSS P25774 1/20 0.40
LTA4H P09960 1/20 0.40
KLK5 Q9Y337 1/20 0.40
PSMB10 P40306 3/20 0.39
PSMB2 P49721 2/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL7326123 0.94 SYK (0.48) SYKCTSDRENCTSKCTSB
SCHEMBL7330386 0.83 PSMB1 (0.42) SYKCTSDRENCTSKPSMB1
SCHEMBL10378284 0.81 LTA4H (0.45) SYKRENPSMB1PSMB9PSMB8
SCHEMBL7323405 0.76 SYK (0.46) SYKCTSDRENCTSKCTSB
SCHEMBL27292008 0.75 ACE (0.58) CTSDRENPSMB1PSMB9PSMB8
SCHEMBL24050025 0.74 SYK (0.56) SYKCTSKCTSBCTSSKLK5
SCHEMBL7324895 0.74 LTA4H (0.40) SYKPSMB1PSMB9PSMB8PSMB5
SCHEMBL8141342 0.74 CTSK (0.56) SYKCTSDCTSKCTSBCTSS
SCHEMBL21684844 0.74 CTSK (0.56) SYKCTSDCTSKCTSBCTSS
SCHEMBL6279109 0.74 CTSK (0.56) SYKCTSDCTSKCTSBCTSS

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