SCHEMBL4597828

SCHEMBL4597828

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CTSK P43235 4/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CYP2D6 P10635 1/20 0.45
CAPN1 P07384 1/20 0.45
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL15614935 0.86 CA1 (0.62) CA1CA2CA7CTSKCTSL
SCHEMBL10573143 0.86 CA1 (0.62) CA1CA2CA7CTSKCTSL
Hydrochloric Acid SCHEMBL7432944 0.85 CA1 (0.60) CA1CA2CA7CTSKCTSL
SCHEMBL13932833 0.84 CA1 (0.74) CA1CA2CA7CTSKCTSL
SCHEMBL13932825 0.84 CA1 (0.74) CA1CA2CA7CTSKCTSL
SCHEMBL18997946 0.84 CA1 (0.74) CA1CA2CA7CTSKCTSL
SCHEMBL16690468 0.83 CA1 (0.63) CA1CA2CA7CTSKCTSL
SCHEMBL90531 0.83 CA1 (0.63) CA1CA2CA7CTSKCTSL
SCHEMBL1134626 0.83 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL1134586 0.83 CA1 (0.53) CA1CA2CA7CTSKCTSS

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed