SCHEMBL1700935

SCHEMBL1700935

COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ITGAV P06756 3/20 0.47
POLB P06746 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ITGA2 P17301 1/20 0.41
BMP1 P13497 4/20 0.41
NPY4R P50391 2/20 0.41
NPY1R P25929 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL27412426 1.00 RECQL (0.47) RECQLITGAVPOLBSLC1A3SLC1A2
SCHEMBL8013936 0.90 ITGAV (0.49) ITGAVSLC1A3SLC1A2SLC1A1ITGA2
SCHEMBL6877985 0.89 ITGAV (0.57) ITGAVSLC1A3SLC1A2SLC1A1ITGA2
SCHEMBL8492995 0.89 ITGAV (0.57) ITGAVSLC1A3SLC1A2SLC1A1ITGA2
SCHEMBL27734963 0.85 BMP1 (0.52) BMP1ITGB3ITGA2B
SCHEMBL11207292 0.83 RECQL (0.52) RECQLITGAVPOLBSLC1A3SLC1A2
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL324561 0.82 ITGB3 (0.57) BMP1ITGB3ITGA2B
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL2853451 0.82 ITGB3 (0.57) BMP1ITGB3ITGA2B
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL1034821 0.81 ITGB3 (0.56) BMP1ITGB3ITGA2B
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL11880215 0.81 ITGB3 (0.56) BMP1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588128-A1 LACTOFERRIN SEQUENCES, COMPOSITIONS AND METHODS OF CORNEAL WOUND TREATMENT Brien Holden Vision Institute (AU) 2013-05-08 EP disclosed
WO-2012000054-A1 LACTOFERRIN SEQUENCES, COMPOSITIONS AND METHODS OF CORNEAL WOUND TREATMENT BRIEN HOLDEN VISION INSTITUTE (AU) 2012-01-05 WO disclosed
EP-2144625-A1 A CONTROLLED RELEASE ENZYMATIC COMPOSITION AND METHODS OF USE Arcimboldo AB (SE) 2010-01-20 EP disclosed
WO-2008070698-A1 A CONTROLLED RELEASE ENZYMATIC COMPOSITION AND METHODS OF USE ARCIMBOLDO AB (SE) 2008-06-12 WO disclosed
US-20010024816-A1 TNF-alpha converting enzyme BLACK ROY A (US) 2001-09-27 US disclosed