SCHEMBL8185091

SCHEMBL8185091

N=C(N)c1ccc(CCCCC(=O)NC[C@H](NS(=O)(=O)c2cccc3ccccc23)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.55
ITGA2B P08514 12/20 0.55
ITGAV P06756 3/20 0.47
F10 P00742 4/20 0.46
F2 P00734 3/20 0.46
PLG P00747 2/20 0.46
PLAU P00749 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL27464968 0.87 ITGB3 (0.64) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL7753614 0.87 ITGB3 (0.51) ITGB3ITGA2BITGAVF10F2
SCHEMBL27462389 0.86 ITGB3 (0.63) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL8185232 0.86 ITGB3 (0.63) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL8175245 0.86 ITGB3 (0.48) ITGB3ITGA2BF2
SCHEMBL7753440 0.85 ITGB3 (0.62) ITGB3ITGA2BITGAVF10PLG
SCHEMBL8198202 0.85 ITGB3 (0.62) ITGB3ITGA2BITGAVF10PLG
SCHEMBL8185170 0.81 ITGB3 (0.54) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL8188715 0.79 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL8185293 0.79 ITGB3 (0.50) ITGB3ITGA2BITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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