SCHEMBL4076285

SCHEMBL4076285

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.49
SIRT1 Q96EB6 10/20 0.49
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SIRT3 Q9NTG7 4/20 0.47
SIRT5 Q9NXA8 3/20 0.47

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
SCHEMBL29357392 1.00 SIRT2 (0.49) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL4727432 1.00 SIRT2 (0.49) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL10727549 0.98 SIRT2 (0.50) SIRT2SIRT1RAB9ATDP1SIRT3
Hydrochloric Acid SCHEMBL380911 0.98 SIRT2 (0.49) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL1842451 0.97 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL29374941 0.97 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3
SCHEMBL31045803 0.97 SIRT2 (0.51) SIRT2SIRT1RAB9ASIRT3
SCHEMBL30070668 0.97 SIRT2 (0.48) SIRT2SIRT1RAB9ATDP1SIRT3
Hydrochloric Acid SCHEMBL31754825 0.96 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3
Hydrochloric Acid SCHEMBL1723683 0.96 SIRT2 (0.46) SIRT2SIRT1RAB9ATDP1SIRT3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101907614-B Method for screening cathepsin B inhibitor by combining ultra-performance liquid chromatography and mass spectrometry CHANGCHUN APPLIED CHEMISTRY 2012-05-23 CN claimed
CN-101907614-A Method for screening cathepsin B inhibitor by adopting ultra performance liquid chromatography and mass spectrometry CHANGCHUN APPLIED CHEMISTRY 2010-12-08 CN claimed
CN-101907614-B Method for screening cathepsin B inhibitor by combining ultra-performance liquid chromatography and mass spectrometry CHANGCHUN APPLIED CHEMISTRY 2012-05-23 CN disclosed
CN-101907614-A Method for screening cathepsin B inhibitor by adopting ultra performance liquid chromatography and mass spectrometry CHANGCHUN APPLIED CHEMISTRY 2010-12-08 CN disclosed
EP-1827478-A4 METHODS OF TREATMENT FOR INJURED OR DISEASED JOINTS MUCOSAL THERAPEUTICS LLC (US) 2009-08-05 EP disclosed
US-20080139458-A1 Lubricating a joint in a mammal by administering lubricin and an enzyme inhibitor like Z-Leu-Leu-Leu-fluoromethyl ketone (Z-LLL-FMK) MUCOSAL THERAPEUTICS 2008-06-12 US disclosed
EP-1827478-A2 METHODS OF TREATMENT FOR INJURED OR DISEASED JOINTS Mucosal Therapeutics LLC (US) 2007-09-05 EP disclosed
WO-2006060473-A2 METHODS OF TREATMENT OF INJURED OR DISEASED JOINTS WITH LUBRICIN COMPOSITIONS MUCOSAL THERAPEUTICS LLC (US) 2006-06-08 WO disclosed