SCHEMBL7753603

SCHEMBL7753603

CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OC1CCc2cc(O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.39
STS P08842 3/20 0.38
ACACB O00763 2/20 0.37
CA2 P00918 1/20 0.37
SYK P43405 1/20 0.36
NQO2 P16083 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
NR1H2 P55055 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
MMP15 P51511 1/20 0.35
MMP16 P51512 1/20 0.35
MMP26 Q9NRE1 1/20 0.35
BCL2 P10415 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL7752529 0.84 SYK (0.52) SYK
SCHEMBL7753616 0.78 SYK (0.45) SYKITGB3ITGA2BMAPT
SCHEMBL7400840 0.77 SYK (0.46) CA2SYKITGB3ITGA2BMMP2
SCHEMBL7400842 0.77 SYK (0.46) CA2SYKITGB3ITGA2BMMP2
SCHEMBL7753300 0.76 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7752664 0.75 SYK (0.47) SYKITGB3ITGA2BMMP2MMP9
SCHEMBL7753600 0.74 ALDH1A1 (0.41) ACACBSYKITGB3ITGA2BBCL2
SCHEMBL7041551 0.74 ITGAV (0.53) ITGB3ITGA2BMMP2MMP9MMP12
SCHEMBL27464973 0.74 ITGAV (0.53) ITGB3ITGA2BMMP2MMP9MMP12
SCHEMBL7748751 0.72 SYK (0.42) SYKITGB3ITGA2BMMP2MMP9

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