SCHEMBL10889644

SCHEMBL10889644

CCC(C)C(NC(=O)OC(C)(C)C)C([NH])=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.61
CTSS P25774 3/20 0.61
PSENEN Q9NZ42 1/20 0.47
CA2 P00918 3/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL18197901 0.88 CTSK (0.62) CTSKCTSSPSENENCA2CA1
SCHEMBL12890784 0.88 CTSK (0.62) CTSKCTSSPSENENCA2CA1
SCHEMBL2159319 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL1951088 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL627379 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL12189206 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL905289 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL3825684 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL16710011 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1
SCHEMBL629960 0.85 CTSS (0.67) CTSKCTSSPSENENCA2CA1

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-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed