SCHEMBL7753583

SCHEMBL7753583

N=C(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(OCCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.51
ITGA2B P08514 13/20 0.51
ITGAV P06756 2/20 0.47
TLR2 O60603 2/20 0.44
CASP3 P42574 1/20 0.40
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27464977 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVTLR2CASP3
SCHEMBL7748704 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL27448421 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7753375 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7754727 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7753645 0.80 ITGB3 (0.62) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL7752535 0.80 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL27547990 0.80 ITGB3 (0.66) ITGB3ITGA2BITGAVMMP3MMP13
SCHEMBL5203417 0.80 CASP3 (0.53) ITGB3ITGA2BCASP3KMT2A
SCHEMBL7753368 0.77 ITGB3 (0.67) ITGB3ITGA2BITGAVMMP3MMP13

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