SCHEMBL8185232

SCHEMBL8185232

N=C(N)c1ccc(CCCCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.63
ITGA2B P08514 15/20 0.63
ITGAV P06756 3/20 0.52
F2 P00734 2/20 0.48
TMPRSS6 Q8IU80 2/20 0.48
PLAU P00749 1/20 0.48
HPN P05981 1/20 0.48

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
SCHEMBL27462389 1.00 ITGB3 (0.63) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL27464968 0.99 ITGB3 (0.64) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL8185170 0.90 ITGB3 (0.54) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL7748728 0.89 ITGB3 (0.60) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL27543479 0.89 ITGB3 (0.60) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL8189053 0.88 MMP2 (0.52) ITGB3ITGA2BITGAVPLAUHPN
SCHEMBL8185091 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAVF2PLAU
SCHEMBL27489722 0.85 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7753368 0.85 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL8175245 0.85 ITGB3 (0.48) ITGB3ITGA2BF2TMPRSS6

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