SCHEMBL9828093

SCHEMBL9828093

CCCCCCCCC(NC(=O)C(CCCCCCCC)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.62
CTSS P25774 3/20 0.62
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NOD1 Q9Y239 1/20 0.47

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
SCHEMBL9827486 1.00 CTSK (0.62) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9827468 1.00 CTSK (0.62) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL29826317 0.94 CTSK (0.69) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL2706071 0.94 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7555646 0.94 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7555645 0.94 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7550258 0.94 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL7839929 0.94 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL5050858 0.94 CTSK (0.60) CTSKCTSSNOD1
SCHEMBL1926493 0.94 CTSK (0.60) CTSKCTSSNOD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413709-A4 FATTY AMINO ACIDS, AND HOMO- AND HETERO-OLIGOMERS AND CONJUGATES THEREOF GIBBONS WILLIAM ANTHONY (GB) 1991-12-27 EP disclosed
EP-0413709-A1 FATTY AMINO ACIDS, AND HOMO- AND HETERO-OLIGOMERS AND CONJUGATES THEREOF THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1991-02-27 EP disclosed
WO-1989010348-A1 FATTY AMINO ACIDS, AND HOMO- AND HETERO-OLIGOMERS AND CONJUGATES THEREOF SYNPHARM LTD (GB) 1989-11-02 WO disclosed