SCHEMBL7748725

SCHEMBL7748725

O=C(O)CC(NC(=O)CCNC(=O)CCC1CCNCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TBXA2R P21731 5/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7753653 0.86 F2 (0.39) F2ITGB3ITGA2B
SCHEMBL7748678 0.85 F2 (0.39) F2ITGB3ITGA2B
SCHEMBL7748717 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7754692 0.84 F2 (0.38) F2ITGB3ITGA2B
SCHEMBL27387004 0.79 ALDH1A1 (0.33) HTTTBXA2RF2ALDH1A1GAA
SCHEMBL27387005 0.77 ITGB3 (0.36) HTTTBXA2RALDH1A1ITGB3ITGA2B
SCHEMBL7753597 0.72 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7748669 0.71 ITGAV (0.54) ITGB3ITGA2B
SCHEMBL7752487 0.71 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7752410 0.71 ITGAV (0.54) 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