SCHEMBL28190852

SCHEMBL28190852

CCCCOC(=O)NC(CCCC)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.55
CTSS P25774 2/20 0.52
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 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
SCHEMBL11539258 0.90 CTSK (0.46) CTSKCTSS
SCHEMBL19692119 0.90 CTSK (0.45) CTSKCTSSEPHX1
SCHEMBL17449776 0.89 CTSK (0.55) CTSKCTSS
Hydrochloric Acid SCHEMBL7376884 0.89 CTSK (0.45) CTSKCTSS
Hydrochloric Acid SCHEMBL7369678 0.89 CTSK (0.45) CTSKCTSS
SCHEMBL17614512 0.89 CTSK (0.67) CTSKCTSS
SCHEMBL4365404 0.89 CTSK (0.45) CTSKCTSS
SCHEMBL2014739 0.89 CTSK (0.45) CTSKCTSS
SCHEMBL16003150 0.88 CTSK (0.62) CTSKCTSS
SCHEMBL7759025 0.87 CTSK (0.44) CTSKCTSSEPHX1

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
CN-104981456-B The manufacture method of desmosine, isodensmosine and their derivative 学校法人上智学院 2017-12-19 CN disclosed