SCHEMBL6769481

SCHEMBL6769481

C#CC[C@@H](CC(=O)O)NS(=O)(=O)c1cccc(OCCCCNc2cccc[n+]2[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.39
ITGAV P06756 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
FABP1 P07148 1/20 0.35
F2 P00734 2/20 0.35
ITGA2B P08514 1/20 0.34
HTR1A P08908 4/20 0.33
HTR7 P34969 4/20 0.33
MMP3 P08254 1/20 0.33
MMP13 P45452 1/20 0.33
CASP3 P42574 1/20 0.33
KAT6A Q92794 2/20 0.33
MMP2 P08253 1/20 0.33
MAOB P27338 3/20 0.33

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
SCHEMBL6773230 0.87 ITGB3 (0.44) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6774218 0.83 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5F2
SCHEMBL6778678 0.77 MEP1B (0.48) ITGB3ITGAVITGB1ITGA5KAT6A
SCHEMBL6775123 0.75 ALDH1A1 (0.46) ITGB3ITGAVF2HTR1AHTR7
SCHEMBL6771727 0.71 ITGB1 (0.48) ITGB3ITGAVITGB1ITGA5F2
SCHEMBL6773446 0.70 ADAMTS4 (0.39) ITGB3ITGAVMMP13MMP2
SCHEMBL6771102 0.69 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5F2
SCHEMBL6768513 0.67 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5F2
Trifluoroacetic Acid SCHEMBL6801502 0.67 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5F2
SCHEMBL5184113 0.67 NPSR1 (0.55) ITGB3ITGAVITGA2BMMP13KAT6A

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
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed