SCHEMBL7754751

SCHEMBL7754751

CCOC(=O)[C@H](CNC(=O)CCNCC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.42
MMP9 P14780 9/20 0.42
MMP8 P22894 6/20 0.42
MMP12 P39900 6/20 0.42
MMP14 P50281 6/20 0.42
PSMB8 P28062 4/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
PSMB5 P28074 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
BACE1 P56817 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
SCHEMBL7752387 0.87 MMP2 (0.44) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7752664 0.82 SYK (0.47) MMP2MMP9PSMB8ITGB3ITGA2B
SCHEMBL7752666 0.79 MMP2 (0.45) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7754665 0.79 ITGB3 (0.46) PSMB8ITGB3ITGA2BPSMB5
SCHEMBL7753284 0.78 MMP13 (0.47) MMP2MMP9MMP8PKM
SCHEMBL7372167 0.77 ITGB3 (0.50) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27449334 0.77 L3MBTL1 (0.39) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7753201 0.77 MMP13 (0.46) MMP2MMP9MMP8ITGB3ITGA2B
SCHEMBL7377406 0.75 ITGB3 (0.48) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7752422 0.75 ITGB3 (0.52) ITGB3ITGA2B

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