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SCHEMBL13410102

SCHEMBL13410102

CCN(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)[C@@H](NCCNC(=O)CCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.42
▸ SIRT1 Q96EB6 7/20 0.36
▸ SIRT2 Q8IXJ6 7/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.34
▸ FURIN P09958 2/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ SIRT3 Q9NTG7 3/20 0.32

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
SCHEMBL13401564 1.00 FAP (0.42) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL16327728 0.94 FAP (0.42) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL13410094 0.93 SIRT2 (0.37) FAPSIRT1SIRT2OPRK1SIRT3
SCHEMBL13401535 0.93 SIRT2 (0.37) FAPSIRT1SIRT2OPRK1SIRT3
SCHEMBL16299921 0.92 FAP (0.45) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL14012282 0.90 FURIN (0.41) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL29692594 0.89 FAP (0.44) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL16387730 0.88 FAP (0.47) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL13410103 0.88 FAP (0.44) FAPSIRT1SIRT2MAP1LC3BFURIN
SCHEMBL16350292 0.88 FAP (0.44) FAPSIRT1SIRT2MAP1LC3BFURIN

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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