SCHEMBL7893209

SCHEMBL7893209

CCC(O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
PSENEN Q9NZ42 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
KLK5 Q9Y337 1/20 0.41
PREP P48147 1/20 0.40
TRPA1 O75762 2/20 0.40

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
SCHEMBL7888254 1.00 CTSK (0.49) CTSKCTSSPSENENCA1CA2
SCHEMBL3727156 0.92 CTSK (0.52) CTSKCTSSPSENENCA1CA2
SCHEMBL3727425 0.88 CTSK (0.49) CTSKCTSSPSENENCA1CA2
SCHEMBL21332574 0.87 CTSK (0.50) CTSKCTSSPSENENCA1CA2
SCHEMBL21332573 0.87 CTSK (0.50) CTSKCTSSPSENENCA1CA2
SCHEMBL16658566 0.84 CTSK (0.54) CTSKCTSSPSENENCA1CA2
SCHEMBL1515310 0.84 CTSK (0.54) CTSKCTSSPSENENCA1CA2
SCHEMBL13030924 0.84 CTSK (0.48) CTSKCTSSPSENENCA1CA2
SCHEMBL13030925 0.84 CTSK (0.48) CTSKCTSSPSENENCA1CA2
SCHEMBL8136020 0.83 CTSK (0.48) CTSKCTSSPSENENCA1CA2

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
WO-2010103473-A1 METHOD OF TREATMENT OF POLYCYSTIC DISEASES AND CHRONIC LYMPHOCYTIC LEUKEMIA CHU DE BREST (FR) 2010-09-16 WO disclosed