SCHEMBL7399188

SCHEMBL7399188

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.52
CTSS P25774 2/20 0.52
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7503388 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL4820622 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL7394335 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL7354573 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL7398808 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL16464263 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL6605081 1.00 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL18716007 0.95 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL3206074 0.91 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL3682448 0.91 CTSK (0.50) CTSKCTSSCA1CA2CA7

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-2001036404-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-25 WO disclosed