SCHEMBL7748743

SCHEMBL7748743

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c2ccc(C(=N)N)cc2)C(=O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 7/20 0.56
ITGB3 P05106 15/20 0.56
ITGA2B P08514 15/20 0.56
ITGB1 P05556 2/20 0.49
ITGA5 P08648 2/20 0.49
ITGB5 P18084 2/20 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
SCHEMBL7752365 0.87 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7748714 0.85 ITGB3 (0.63) ITGAVITGB3ITGA2B
SCHEMBL8188715 0.85 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7754726 0.85 ITGAV (0.67) ITGAVITGB3ITGA2B
SCHEMBL8185293 0.84 ITGB3 (0.50) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7752678 0.84 ITGAV (0.49) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7748645 0.84 ITGAV (0.48) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7752629 0.83 ITGB3 (0.73) ITGAVITGB3ITGA2B
SCHEMBL7752361 0.83 ITGB3 (0.73) ITGAVITGB3ITGA2B
SCHEMBL27461966 0.83 ITGB3 (0.73) ITGAVITGB3ITGA2B

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