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SCHEMBL13410103

SCHEMBL13410103

CCN(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CN(C)CCC(=O)NCCOCCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.44
▸ MAP1LC3B Q9GZQ8 2/20 0.34
▸ SIRT2 Q8IXJ6 8/20 0.33
▸ SIRT1 Q96EB6 6/20 0.33
▸ FURIN P09958 1/20 0.32
▸ SIRT3 Q9NTG7 3/20 0.32
▸ FOLH1 Q04609 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL16350292 1.00 FAP (0.44) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL14012283 0.89 FAP (0.39) FAPMAP1LC3BFURIN
SCHEMBL13401564 0.88 FAP (0.42) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL13410102 0.88 FAP (0.42) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL29692594 0.85 FAP (0.44) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL16299921 0.85 FAP (0.45) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL16946353 0.85 FAP (0.45) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL16387730 0.84 FAP (0.47) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL20863837 0.83 FAP (0.44) FAPMAP1LC3BSIRT2SIRT1FURIN
SCHEMBL21559557 0.83 FAP (0.44) FAPMAP1LC3BSIRT2SIRT1FURIN

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-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 — — US disclosed
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