SCHEMBL7328746

SCHEMBL7328746

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccccc1)C(=O)C(N)C(CO)CNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
ALOX5 P09917 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KLK5 Q9Y337 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
CES1 P23141 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33

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
SCHEMBL10378291 0.93 LTA4H (0.39) SYKALOX5
SCHEMBL7329315 0.88 ALOX5 (0.37) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7329470 0.86 CTSS (0.32) CTSSCTSKMMP1MMP3MMP9
SCHEMBL7322952 0.86 CTSS (0.32) CTSSCTSKMMP1MMP3MMP9
SCHEMBL7322873 0.86 CES1 (0.35) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7324667 0.86 ALOX5 (0.41) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7323122 0.85 CA2 (0.34) CTSSCTSKKLK5PSEN1PSEN2
SCHEMBL7322631 0.85 CASP1 (0.34)
SCHEMBL7332144 0.85 CASP1 (0.34)
SCHEMBL7332732 0.85 CASP1 (0.34)

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 4 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 claimed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP claimed
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