SCHEMBL28047111

SCHEMBL28047111

CCCCC(C(=O)CC)C1(NC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.41
CTSS P25774 1/20 0.38

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
SCHEMBL28041455 0.73 CA2 (0.33)
SCHEMBL18891796 0.73 APLNR (0.39) CTSKCTSS
SCHEMBL18878390 0.72 CTSL (0.39) CTSKCTSS
SCHEMBL28083977 0.72 P2RX7 (0.41) CTSKCTSS
SCHEMBL24052174 0.69 CA12 (0.43) CTSK
SCHEMBL29399267 0.69 GAA (0.35) CTSK
SCHEMBL19575012 0.69 P2RX7 (0.37) CTSKCTSS
SCHEMBL19388218 0.68 EPHX1 (0.39) CTSKCTSS
SCHEMBL29398957 0.68 CTSL (0.40) CTSKCTSS
SCHEMBL14334492 0.68 P2RX7 (0.44) CTSK

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-105308065-A Polymyxin derivatives and their use in combination therapy with different antibiotics CANTAB ANTI INFECTIVES LTD 2016-02-03 CN disclosed