SCHEMBL28804957

SCHEMBL28804957

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.50
▸ CTSS P25774 7/20 0.50
▸ CTSL P07711 2/20 0.50
▸ CTSB P07858 1/20 0.50
▸ FOLH1 Q04609 2/20 0.47
▸ NAALAD2 Q9Y3Q0 2/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL30174879 0.92 CTSK (0.49) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL20745305 0.90 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7954021 0.90 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL1319454 0.90 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL13263380 0.90 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7066210 0.90 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL18560556 0.90 NAALAD2 (0.59) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL12673233 0.90 CTSK (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL28804956 0.87 CTSK (0.50) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL21675512 0.85 CTSK (0.61) CTSKCTSSCTSLCTSBCA1

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
CN-102206247-B Novel peptides as NS3/NS4a serine protease inhibitors of hepatitis C virus DENDREON CORP 2013-03-27 — — CN disclosed
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