SCHEMBL757489

SCHEMBL757489

CCCCCCCCCC(=O)N1CCC(CCO/N=C\CNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)NCC(=O)O)(C(=O)CCCCCCCCC)C(C(=O)CCCCCCCCC)(C(=O)CCCCCCCCC)C1(C(=O)CCCCCCCCC)C(=O)CCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 16/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
SIRT1 Q96EB6 14/20 0.41
SIRT3 Q9NTG7 11/20 0.41
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
TLR2 O60603 2/20 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
SCHEMBL13671075 0.81 BCHE (0.54) SIRT2BCHEACHESIRT1SIRT3
SCHEMBL4386983 0.81 BCHE (0.54) SIRT2BCHEACHESIRT1SIRT3
SCHEMBL757490 0.81 BCHE (0.54) SIRT2BCHEACHESIRT1SIRT3
SCHEMBL757049 0.68 CTSS (0.50) SIRT2CTSLCTSS
SCHEMBL13671074 0.68 CTSS (0.50) SIRT2CTSLCTSS
SCHEMBL2118680 0.67 CTSL (0.77) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL12109633 0.67 CTSL (0.59) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL13884485 0.65 CTSS (0.58) CTSLCTSS
SCHEMBL1122463 0.65 CTSS (0.58) CTSLCTSS
SCHEMBL14433709 0.65 CTSS (0.58) CTSLCTSS

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
EP-1708755-B1 TRANSGLUTAMINASE MEDIATED CONJUGATION OF PEPTIDES NOVO NORDISK HEALTHCARE AG (CH) 2012-03-21 EP disclosed