SCHEMBL8136019

SCHEMBL8136019

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(CO)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
PRKCA P17252 2/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CYP2D6 P10635 1/20 0.40
PREP P48147 1/20 0.39
TRPA1 O75762 2/20 0.38
PSENEN Q9NZ42 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL3734416 0.84 CTSK (0.46) CTSKCTSSCA2CA1CA7
SCHEMBL8135000 0.83 CTSK (0.42) CTSKCTSSCA2CA1CA7
SCHEMBL3727425 0.83 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL20118769 0.82 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL3737093 0.82 CTSK (0.44) CTSKCTSSCA2CA1CA7
SCHEMBL16658566 0.82 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL1515310 0.82 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL3728848 0.81 CTSK (0.45) CTSKCTSSCA2CA1CA7
SCHEMBL3727156 0.81 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL7603103 0.81 CTSK (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed