SCHEMBL7306871

SCHEMBL7306871

CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O.[KH]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CTSS P25774 6/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ACE P12821 1/20 0.45
PPARD Q03181 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
IDO1 P14902 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL1423262 0.98 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL205237 0.98 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2781378 0.98 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL11276177 0.97 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL13571115 0.97 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
Propylene Glycol SCHEMBL7982009 0.91 CTSK (0.45) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3873210 0.89 CTSK (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL5285944 0.88 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4711467 0.88 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4024795 0.88 CTSK (0.52) CTSKCTSSMEN1GAAKMT2A

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
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed