SCHEMBL9148271

SCHEMBL9148271

CCCC[C@H](NC(=O)OC(C)(C)C)C(O)c1c(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.46
CTSS P25774 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 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
SCHEMBL9146250 0.83 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL8393547 0.82 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL9148295 0.81 CTSK (0.50) CTSKCTSS
SCHEMBL9148183 0.81 CTSK (0.43) CTSKCTSS
SCHEMBL1134628 0.77 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL22731080 0.77 CA1 (0.63) CTSKCTSSCA1CA2CA7
SCHEMBL8393549 0.76 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL9148279 0.76 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL7399188 0.76 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL7503388 0.76 CTSK (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395958-A Intermediates for enzyme inhibitors MITSUBISHI KASEI CORPORATION (JP) 1995-03-07 US disclosed
EP-0590650-A1 Cyclopropene derivatives with thiol protease inhibiting activity Mitsubishi Chemical Corporation (JP) 1994-04-06 EP disclosed