SCHEMBL7442497

SCHEMBL7442497

C[C@H](NC(=O)C(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
KLK5 Q9Y337 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL7440652 0.90 CTSK (0.47) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7441752 0.89 CTSK (0.45) CTSKCTSSPOLBGABRB1GABRB2
SCHEMBL7430555 0.87 METAP2 (0.47) CTSKCTSSMEN1KMT2AGABRB1
SCHEMBL7429952 0.87 CTSK (0.45) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7442604 0.87 CTSK (0.45) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7431637 0.85 CTSK (0.44) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL7443768 0.85 CTSK (0.44) CTSKCTSSGABRB1GABRB2KLK5
SCHEMBL17106932 0.83 CTSK (0.65) CTSKCTSSPOLBCTSLCTSB
SCHEMBL17106924 0.83 CTSK (0.65) CTSKCTSSPOLBCTSLCTSB
SCHEMBL17106933 0.83 CTSK (0.65) CTSKCTSSPOLBCTSLCTSB

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