SCHEMBL8185293

SCHEMBL8185293

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CCCCCc2ccc(C(=N)N)cc2)C(=O)O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.50
ITGA2B P08514 15/20 0.50
ITGAV P06756 9/20 0.49
ITGB1 P05556 4/20 0.47
ITGA5 P08648 4/20 0.47
ITGB5 P18084 4/20 0.47

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
SCHEMBL8188715 0.99 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7748645 0.87 ITGAV (0.48) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7752678 0.86 ITGAV (0.49) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7748743 0.84 ITGAV (0.56) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL8185232 0.84 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL27462389 0.84 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL27464968 0.83 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL8185170 0.83 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL8189053 0.80 MMP2 (0.52) ITGB3ITGA2BITGAV
SCHEMBL8185091 0.79 ITGB3 (0.55) ITGB3ITGA2BITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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