SCHEMBL8185170

SCHEMBL8185170

CCc1ccc(S(=O)(=O)N[C@@H](CNC(=O)CCCCc2ccc(C(=N)N)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.54
ITGA2B P08514 13/20 0.54
PLAU P00749 2/20 0.47
HPN P05981 2/20 0.47
F2 P00734 4/20 0.46
TMPRSS6 Q8IU80 3/20 0.46
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
SCHEMBL27464968 0.91 ITGB3 (0.64) ITGB3ITGA2BPLAUHPNF2
SCHEMBL8185232 0.90 ITGB3 (0.63) ITGB3ITGA2BPLAUHPNF2
SCHEMBL27462389 0.90 ITGB3 (0.63) ITGB3ITGA2BPLAUHPNF2
SCHEMBL8189053 0.90 MMP2 (0.52) ITGB3ITGA2BPLAUHPNITGAV
SCHEMBL7752448 0.88 ITGB3 (0.54) ITGB3ITGA2BF2TMPRSS6ITGAV
SCHEMBL7748737 0.87 ITGB3 (0.62) ITGB3ITGA2BF2TMPRSS6ITGAV
SCHEMBL7754743 0.84 ITGB3 (0.53) ITGB3ITGA2BPLAUHPNF2
SCHEMBL8188715 0.83 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL8185293 0.83 ITGB3 (0.50) ITGB3ITGA2BITGAV
SCHEMBL8184995 0.82 ALDH1A1 (0.48) ITGB3ITGA2BPLAUHPNF2

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 2 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