SCHEMBL7754725

SCHEMBL7754725

COc1ccccc1S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)CCC1CCNCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 2/20 0.56
ITGB3 P05106 18/20 0.49
ITGA2B P08514 18/20 0.49

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
SCHEMBL7752457 0.92 ITGB3 (0.48) ITGAVITGB3ITGA2B
SCHEMBL7752378 0.90 ITGB3 (0.47) ITGAVITGB3ITGA2B
SCHEMBL7753315 0.89 ITGB3 (0.51) ITGAVITGB3ITGA2B
SCHEMBL7752410 0.89 ITGAV (0.54) ITGAVITGB3ITGA2B
SCHEMBL7753656 0.88 ITGB3 (0.49) ITGAVITGB3ITGA2B
SCHEMBL7754697 0.88 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7748689 0.87 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7752487 0.87 ITGB3 (0.49) ITGAVITGB3ITGA2B
SCHEMBL7748669 0.87 ITGAV (0.54) ITGAVITGB3ITGA2B
SCHEMBL7753597 0.87 ITGB3 (0.49) 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