SCHEMBL4898024

SCHEMBL4898024

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@]1(C)NC(=O)CCCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
FKBP4 Q02790 1/20 0.39
MMP3 P08254 8/20 0.38
MMP1 P03956 3/20 0.38
PSMB9 P28065 3/20 0.37
TRPV1 Q8NER1 1/20 0.36
MMP2 P08253 2/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1078320 0.96 TACR1 (0.42) TACR1FKBP4MMP3MMP1PSMB9
SCHEMBL3314831 0.88 TACR1 (0.41) TACR1FKBP4TRPV1MMP2HPGD
SCHEMBL3513112 0.88 FKBP4 (0.44) TACR1FKBP4MMP3MMP1TRPV1
SCHEMBL366333 0.87 TACR1 (0.51) TACR1FKBP4PSMB9
SCHEMBL1088249 0.87 TACR1 (0.41) TACR1FKBP4MMP3MMP1TRPV1
SCHEMBL4824283 0.86 PDF (0.43) TACR1FKBP4
SCHEMBL3926322 0.86 TACR1 (0.41) TACR1FKBP4TRPV1MMP2HPGD
SCHEMBL6044127 0.85 TACR1 (0.49) TACR1FKBP4PSMB9KMT2A
SCHEMBL368075 0.84 TACR1 (0.39) TACR1FKBP4
SCHEMBL1087550 0.83 TACR1 (0.43) TACR1FKBP4MMP3MMP1PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220499-A1 NOVEL PROTEASE FOR INDUSTRIAL APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-09-11 US disclosed
US-5780439-A HYPOALLERGENIC, GLYCOPROTEIN-FREE OLIGOPEPTIDE MIXTURE NOVARTIS NUTRITION AG (CH) 1998-07-14 US disclosed
US-5212068-A Genetic engineering, biosynthesis SANKYO COMPANY LIMITED (JP) 1993-05-18 US disclosed
US-4985361-A GENETIC ENGINEERING SANKYO COMPANY, LIMITED (JP) 1991-01-15 US disclosed
EP-0198645-B1 HUMAN PANCREATIC ELASTASE SANKYO COMPANY LIMITED (JP) 1990-11-22 EP disclosed
EP-0198645-A1 Human pancreatic elastase SANKYO COMPANY LIMITED (JP) 1986-10-22 EP disclosed