SCHEMBL7753616

SCHEMBL7753616

CC(C)(C)OC(=O)NCCC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCc2cc(O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
KLK7 P49862 5/20 0.44
KLK5 Q9Y337 4/20 0.44
ITGB3 P05106 6/20 0.41
ITGA2B P08514 3/20 0.41
ITGAV P06756 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
CAPN1 P07384 1/20 0.37
CAPN2 P17655 1/20 0.37

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
SCHEMBL7752529 0.93 SYK (0.52) SYKKLK7KLK5CACNA1B
SCHEMBL7754673 0.80 SYK (0.59) SYKKLK7KLK5ITGB3ITGA2B
SCHEMBL27451232 0.79 SYK (0.60) SYKKLK7KLK5ITGB3ITGA2B
SCHEMBL7752671 0.78 SYK (0.60) SYKKLK7KLK5ITGB3ITGA2B
SCHEMBL7753603 0.78 NPY5R (0.39) SYKITGB3ITGA2BMAPT
SCHEMBL7753612 0.77 SYK (0.49) SYKKLK7KLK5ITGB3ITGA2B
SCHEMBL29521579 0.75 SYK (0.63) SYKKLK7KLK5CACNA1B
SCHEMBL22975065 0.73 SYK (0.60) SYKKLK7KLK5ITGB3ITGA2B
SCHEMBL22975064 0.73 SYK (0.60) SYKKLK7KLK5ITGB3ITGA2B
SCHEMBL30460045 0.72 SYK (0.72) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed