SCHEMBL7603103

SCHEMBL7603103

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
CTSS P25774 3/20 0.50
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CTSL P07711 3/20 0.41
CTSB P07858 2/20 0.41
KLK5 Q9Y337 1/20 0.40
CYP2D6 P10635 1/20 0.40
PREP P48147 1/20 0.39
TRPA1 O75762 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
APP P05067 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL7597660 0.88 CTSS (0.53) CTSKCTSSCA2CA1CA7
SCHEMBL3728289 0.87 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL18024826 0.86 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL1515310 0.82 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL16658566 0.82 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL3731939 0.81 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL14260540 0.81 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL3727156 0.81 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL8136019 0.81 CTSK (0.47) CTSKCTSSCA2CA1CA7
SCHEMBL17999705 0.79 CTSK (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002503673-A 2002-02-05 JP claimed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP claimed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO claimed