SCHEMBL7754685

SCHEMBL7754685

CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)CCC2CCNCC2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.53
ITGA2B P08514 19/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ITGAV P06756 1/20 0.46

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
SCHEMBL7753296 0.91 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7752399 0.91 ITGB3 (0.54) ITGB3ITGA2BITGAV
SCHEMBL7748771 0.90 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7753644 0.89 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7748670 0.89 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7752480 0.89 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7753584 0.89 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7748665 0.89 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7754717 0.88 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7752486 0.88 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