SCHEMBL1033030

SCHEMBL1033030

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
NLRP3 Q96P20 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MYOC Q99972 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
SLC1A2 P43004 1/20 0.40
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL1088019 0.97 MMP9 (0.41) MMP9NLRP3MEN1KMT2ALMNA
SCHEMBL1063525 0.93 MEN1 (0.45) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL1088745 0.92 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL29629276 0.83 MMP9 (0.47) MMP9MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3244930 0.82 ELANE (0.43) MMP9NLRP3MEN1KMT2ALMNA
SCHEMBL1451494 0.79 MEN1 (0.40) MMP9NLRP3MEN1KMT2ALMNA
SCHEMBL18507619 0.78 ALDH1A1 (0.39) MMP9NLRP3MEN1KMT2ALMNA
SCHEMBL8330156 0.75 MEN1 (0.39) MMP9NLRP3MEN1KMT2ALMNA
SCHEMBL8909746 0.74 MEN1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1651305 0.74 KMT2A (0.53) MEN1KMT2ALMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9644194-B2 Cold-adapted protease derived from Pseudoalteromonas arctica PAMC 21717 and uses thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2017-05-09 US disclosed
US-9574185-B2 Cold-adapted protease derived from Pseudoalteromonas arctica PAMC 21717 and uses thereof KOREA INSTITUTE OF OCEAN SCIENCE & TECHNOLOGY (KR) 2017-02-21 US disclosed
EP-1448995-B9 ASSAY FOR SCREENING CANDIDATE DRUGS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV ABERDEEN (GB) 2011-10-12 EP disclosed
US-7998474-B2 Exposing drug to intestinal cells, analysing effect of drug on variation of nuclear export or import or disruption of transcriptional activity of transcription factors from NF-kappa B family, differential histone acetylation of p65 ROWETT RESEARCH INSTITUTE (GB) 2011-08-16 US disclosed
EP-1448995-B1 ASSAY FOR SCREENING CANDIDATE DRUGS FOR THE TREATMENT OF INFLAMMATORY DISEASES ROWETT RES INST (GB) 2011-01-19 EP disclosed
US-20060142171-A1 Novel alkaline protease FORSKARPATENT I SYD AB (SE) 2006-06-29 US disclosed
EP-1448995-A1 ASSAY FOR SCREENING CANDIDATE DRUGS FOR THE TREATMENT OF INFLAMMATORY DISEASES The Rowett Research Institute (GB) 2004-08-25 EP disclosed
US-20030133875-A1 Assay for screening candidate drug for the treatment of inflammatory diseases and methods for treating the same ROWETT RESEARCH INSTITUTE (GB) 2003-07-17 US disclosed
WO-2003046580-A1 ASSAY FOR SCREENING CANDIDATE DRUGS FOR THE TREATMENT OF INFLAMMATORY DISEASES ROWETT RESEARCH INSTITUTE (GB) 2003-06-05 WO disclosed