SCHEMBL19387331

SCHEMBL19387331

CC(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CN)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.42
SIRT1 Q96EB6 8/20 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
MMP3 P08254 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
SCHEMBL24943387 0.95 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL17236057 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL14887424 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19485753 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL16143151 0.93 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19485818 0.93 SIRT2 (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19485764 0.92 FURIN (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19466410 0.92 FURIN (0.44) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19687798 0.91 SIRT2 (0.42) SIRT2SIRT1SIRT3FURINSIRT5
SCHEMBL19687799 0.91 SIRT2 (0.42) SIRT2SIRT1SIRT3FURINSIRT5

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
US-9770519-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2017-09-26 US disclosed