SCHEMBL7448767

SCHEMBL7448767

CCCCNC(=O)C(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.43
CTSS P25774 4/20 0.43
CAPN1 P07384 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7435300 0.95 TDP1 (0.42) CTSKCTSSCAPN1CA1CA2
SCHEMBL7438051 0.92 CA1 (0.41) CTSKCTSSCAPN1CA1CA2
SCHEMBL7437472 0.84 CTSK (0.44) CTSKCTSSCAPN1CA1CA2
SCHEMBL7438236 0.81 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL7445788 0.81 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL7442619 0.81 CTSK (0.51) CTSKCTSSCAPN1CA1CA2
SCHEMBL7443440 0.80 CA1 (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL16492732 0.80 CAPN1 (0.49) CTSKCTSSCAPN1CA1CA2
SCHEMBL7430737 0.80 CA1 (0.40) CTSKCTSSCAPN1CA1CA2
SCHEMBL7444118 0.78 CA1 (0.47) CTSKCTSSCA1CA2CA7

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