SCHEMBL6801394

SCHEMBL6801394

CCC(C)C(CC(=O)O)NS(=O)(=O)c1cccc(OCCCCNc2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.50
ITGAV P06756 17/20 0.50
ITGB1 P05556 8/20 0.50
ITGB5 P18084 4/20 0.50
ITGB6 P18564 3/20 0.50
ITGA2B P08514 4/20 0.46
ITGA5 P08648 4/20 0.45

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
SCHEMBL6773294 0.92 ITGB3 (0.52) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6768513 0.85 ITGB3 (0.56) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6773136 0.83 ITGB3 (0.52) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6771727 0.83 ITGB1 (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6767615 0.82 ITGB3 (0.49) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6778668 0.82 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6772750 0.81 ITGB3 (0.55) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6774218 0.81 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6769604 0.81 ITGB3 (0.47) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6771102 0.79 ITGB3 (0.53) ITGB3ITGAVITGB1ITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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