SCHEMBL16143151

SCHEMBL16143151

CC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(NC(=O)CN)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.42
SIRT1 Q96EB6 9/20 0.42
SIRT3 Q9NTG7 3/20 0.42
HTT P42858 1/20 0.42
FURIN P09958 2/20 0.41
SIRT5 Q9NXA8 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL14887424 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL17236057 1.00 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL17236059 0.95 FURIN (0.41) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL14887423 0.95 FURIN (0.41) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL24943387 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19485763 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL16770337 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL84114 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19387331 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL22541305 0.92 SIRT2 (0.44) SIRT2SIRT1SIRT3HTTFURIN

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
WO-2014160360-A1 TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC. (US) 2014-10-02 WO disclosed