SCHEMBL7936642

SCHEMBL7936642

CCOC(=O)CC(c1ccc2c(c1)OCC2)N1CCC(CCCC2(C)OCCO2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGAV P06756 7/20 0.52
OGA O60502 12/20 0.39
CXCR3 P49682 1/20 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
SCHEMBL7936647 1.00 ITGB3 (0.52) ITGB3ITGAVOGACXCR3
SCHEMBL7947722 0.89 ITGB3 (0.55) ITGB3ITGAVOGA
SCHEMBL7947726 0.89 ITGB3 (0.55) ITGB3ITGAVOGA
SCHEMBL7936606 0.83 ITGB3 (0.35) ITGB3ITGAV
SCHEMBL7936608 0.83 ITGB3 (0.35) ITGB3ITGAV
SCHEMBL7947639 0.81 ITGB3 (0.61) ITGB3ITGAVOGA
SCHEMBL7947636 0.81 ITGB3 (0.61) ITGB3ITGAVOGA
SCHEMBL4378963 0.80 ITGB3 (0.82) ITGB3ITGAV
SCHEMBL3889422 0.80 ITGB3 (0.82) ITGB3ITGAV
SCHEMBL7944308 0.80 ITGB3 (0.82) ITGB3ITGAV

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-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed