SCHEMBL7753679

SCHEMBL7753679

CCOC(=O)[C@H](CNC(=O)CCNC(=O)COC1CCN(C(=O)OCc2ccccc2)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.49
ITGA5 P08648 5/20 0.49
ITGB3 P05106 4/20 0.49
ITGAV P06756 4/20 0.49
ITGA2B P08514 3/20 0.49
ITGB5 P18084 3/20 0.49
ST14 Q9Y5Y6 3/20 0.44
HPN P05981 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
F13A1 P00488 4/20 0.42
TGM2 P21980 4/20 0.42
TGM1 P22735 4/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL27449333 0.92 ITGB3 (0.56) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7748735 0.92 ITGB3 (0.56) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL27461971 0.82 F13A1 (0.48) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7753284 0.79 MMP13 (0.47) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL7753201 0.78 MMP13 (0.46) ITGB3ITGA2BMMP1MMP2MMP3
SCHEMBL7394756 0.75 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL7753699 0.74 ITGB3 (0.54) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL27448890 0.74 ITGB3 (0.54) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7752422 0.74 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL6977329 0.73 TGFBR1 (0.43) ITGB3ITGA2BMMP1MMP2MMP3

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