SCHEMBL7434747

SCHEMBL7434747

CCCCC(C(=O)C(=O)NCCC)N(C=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.39
DPP7 Q9UHL4 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
PDF Q9HBH1 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL7434758 1.00 CTSK (0.39) CTSKDPP7CA1CA2MMP9
SCHEMBL7445940 0.84 CTSK (0.30) CTSK
SCHEMBL7445931 0.84 CTSK (0.30) CTSK
SCHEMBL7444369 0.81 EPHX1 (0.32) CTSK
SCHEMBL7444363 0.81 EPHX1 (0.32) CTSK
SCHEMBL4775248 0.80 CTSK (0.40) CTSKCA1CA2PDFCTSS
SCHEMBL4773839 0.80 CTSK (0.40) CTSKCA1CA2PDFCTSS
SCHEMBL7442731 0.80 EPHX1 (0.39) DPP7
SCHEMBL7442741 0.80 EPHX1 (0.39) DPP7
SCHEMBL7442612 0.76 DPP7 (0.35) CTSKDPP7CA1CA2PDF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed