SCHEMBL7753300

SCHEMBL7753300

N=C(N)c1ccc(OCCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)OC2CCc3cc(O)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.43
ITGA2B P08514 17/20 0.43
ITGAV P06756 1/20 0.41
ST14 Q9Y5Y6 2/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL7753291 0.80 ITGB3 (0.48) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL7752535 0.79 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL27547990 0.79 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL27489722 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7753368 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7753603 0.76 NPY5R (0.39) ITGB3ITGA2B
SCHEMBL7753371 0.75 ITGB3 (0.49) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL27464157 0.75 ITGB3 (0.49) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL7753569 0.72 ITGB3 (0.55) ITGB3ITGA2BITGAVST14F2
SCHEMBL7748703 0.72 ITGB3 (0.55) ITGB3ITGA2BITGAVPLAU

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