SCHEMBL7754731

SCHEMBL7754731

CCOC(=O)[C@H](CNC(=O)CCNC(=O)c1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc(CC)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGA2B P08514 13/20 0.51
PLAU P00749 3/20 0.44
HPN P05981 3/20 0.44
F2 P00734 3/20 0.44
TMPRSS6 Q8IU80 3/20 0.44
OPRK1 P41145 1/20 0.41

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
SCHEMBL7748774 0.91 ITGB3 (0.59) ITGB3ITGA2BPLAUHPN
SCHEMBL7748737 0.90 ITGB3 (0.62) ITGB3ITGA2BF2TMPRSS6
SCHEMBL7753629 0.89 ITGB3 (0.47) ITGB3ITGA2BPLAUHPNF2
SCHEMBL7753351 0.84 ITGB3 (0.46) ITGB3ITGA2BF2OPRK1
SCHEMBL7752475 0.83 ITGB3 (0.61) ITGB3ITGA2BPLAUHPNF2
SCHEMBL7752365 0.82 ITGB3 (0.62) ITGB3ITGA2BPLAUHPN
SCHEMBL8184995 0.80 ALDH1A1 (0.48) ITGB3ITGA2BPLAUHPNF2
SCHEMBL7752735 0.80 ITGB3 (0.59) ITGB3ITGA2B
Iodide SCHEMBL8684099 0.79 ALDH1A1 (0.47) ITGB3ITGA2BPLAUHPNF2
SCHEMBL7752629 0.79 ITGB3 (0.73) 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