Sugi Predict

Sugi Predict / Compounds / SCHEMBL7735308

SCHEMBL7735308

SCHEMBL7735308

CCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.47
▸ CTSS P25774 7/20 0.47
▸ CA2 P00918 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ BIRC2 Q13490 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ REN P00797 1/20 0.37

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
SCHEMBL10173947 0.92 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL7728040 0.90 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL14401962 0.90 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL3226823 0.89 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL8353044 0.89 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL7733585 0.87 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL13707738 0.85 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL7735263 0.83 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL8281467 0.83 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL8051422 0.83 ALDH1A1 (0.43) CTSKCTSSCA2CA1CA7

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-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 — — US disclosed