SCHEMBL7748645

SCHEMBL7748645

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CCCCOc2ccc(C(=N)N)cc2)C(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 8/20 0.48
ITGB3 P05106 16/20 0.48
ITGA2B P08514 14/20 0.48
ITGB1 P05556 2/20 0.44
ITGA5 P08648 2/20 0.44
ITGB5 P18084 2/20 0.44

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
SCHEMBL7752678 0.97 ITGAV (0.49) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL8188715 0.88 ITGB3 (0.51) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL8185293 0.87 ITGB3 (0.50) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7753368 0.84 ITGB3 (0.67) ITGAVITGB3ITGA2BITGB5
SCHEMBL27489722 0.84 ITGB3 (0.67) ITGAVITGB3ITGA2BITGB5
SCHEMBL7753423 0.84 ITGB3 (0.56) ITGAVITGB3ITGA2B
SCHEMBL7748743 0.84 ITGAV (0.56) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL7754691 0.82 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL27464162 0.82 ITGB3 (0.58) ITGAVITGB3ITGA2B
SCHEMBL7752535 0.82 ITGB3 (0.66) ITGAVITGB3ITGA2BITGB5

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