SCHEMBL9490221

SCHEMBL9490221

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 5/20 0.53
HDAC1 Q13547 1/20 0.52
SIRT2 Q8IXJ6 12/20 0.51
SIRT1 Q96EB6 11/20 0.51
SIRT3 Q9NTG7 5/20 0.51
MMP3 P08254 1/20 0.50

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
SCHEMBL1803249 0.96 SIRT5 (0.54) SIRT5HDAC1SIRT2SIRT1SIRT3
SCHEMBL8495706 0.93 CTSL (0.54) SIRT5HDAC1SIRT2SIRT1
SCHEMBL8495526 0.93 CTSL (0.54) SIRT5HDAC1SIRT2SIRT1
SCHEMBL29790888 0.86 CPB1 (0.61) SIRT5SIRT2SIRT1SIRT3
SCHEMBL8342384 0.86 HDAC1 (0.49) SIRT5HDAC1SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL9814916 0.85 HDAC1 (0.48) SIRT5HDAC1SIRT2SIRT1SIRT3
SCHEMBL8338954 0.84 NPY4R (0.46)
SCHEMBL3868955 0.84 SIRT5 (0.52) SIRT5MMP3
SCHEMBL3868962 0.84 SIRT5 (0.52) SIRT5MMP3
SCHEMBL9490193 0.83 SIRT2 (0.48) SIRT5HDAC1SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed