SCHEMBL7748771

SCHEMBL7748771

O=C(CCC1CCNCC1)NCCC(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGA2B P08514 20/20 0.62

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
SCHEMBL27464161 0.96 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL27451238 0.94 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7752595 0.94 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL27450350 0.93 ITGB3 (0.63) ITGB3ITGA2B
SCHEMBL7752480 0.91 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7753584 0.91 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7752399 0.91 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7748665 0.91 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7753394 0.90 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7752604 0.90 ITGB3 (0.61) 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