SCHEMBL7748704

SCHEMBL7748704

N=C(NC(=O)OCc1ccccc1)c1ccc(OCCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.56
ITGA2B P08514 12/20 0.56
ITGAV P06756 2/20 0.51
MMP2 P08253 6/20 0.47
MMP9 P14780 6/20 0.47
MMP1 P03956 2/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM10 O14672 3/20 0.44
ADAM17 P78536 3/20 0.44
MMP14 P50281 2/20 0.44

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
SCHEMBL27448421 1.00 ITGB3 (0.56) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL27504932 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL27504933 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7753645 0.86 ITGB3 (0.62) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7753375 0.86 ITGB3 (0.61) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7754727 0.86 ITGB3 (0.61) ITGB3ITGA2BITGAVMMP2MMP9
SCHEMBL7753583 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL27464977 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7752535 0.84 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL27547990 0.84 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13

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-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
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed