SCHEMBL31045936

SCHEMBL31045936

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.52
MMP3 P08254 1/20 0.51
CTSK P43235 3/20 0.45
SIRT2 Q8IXJ6 10/20 0.44
SIRT1 Q96EB6 9/20 0.44
SIRT3 Q9NTG7 3/20 0.44
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
NPY1R P25929 1/20 0.43
NPY4R P50391 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29577662 0.97 SIRT5 (0.53) SIRT5MMP3CTSKSIRT2SIRT1
SCHEMBL5523268 0.97 SIRT5 (0.53) SIRT5MMP3CTSKSIRT2SIRT1
SCHEMBL29417414 0.97 SIRT5 (0.53) SIRT5MMP3CTSKSIRT2SIRT1
Hydrochloric Acid SCHEMBL29692733 0.96 SIRT5 (0.52) SIRT5MMP3CTSKSIRT2SIRT1
SCHEMBL29791005 0.96 SIRT2 (0.48) SIRT5SIRT2SIRT1SIRT3
SCHEMBL29791057 0.96 SIRT2 (0.48) SIRT5SIRT2SIRT1SIRT3
SCHEMBL13276502 0.94 TDP1 (0.44) SIRT5MMP3SIRT2SIRT1SIRT3
SCHEMBL6856707 0.94 SIRT5 (0.49) SIRT5MMP3CTSKSIRT2SIRT1
SCHEMBL31046106 0.94 SIRT2 (0.49) SIRT2SIRT1SIRT3
SCHEMBL31045758 0.94 SIRT2 (0.49) SIRT2SIRT1SIRT3

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-2024197174-A1 PEPTIDE SUBSTRATES AND INHIBITORS OF CATHEPSIN B THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-26 WO disclosed