SCHEMBL6771544

SCHEMBL6771544

O=S(=O)(O)c1cccc(OCCCCNc2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.51
ITGA5 P08648 4/20 0.51
F2 P00734 3/20 0.47
ITGB3 P05106 12/20 0.46
ITGAV P06756 12/20 0.46
ITGB5 P18084 4/20 0.46
ITGA2B P08514 3/20 0.46
ITGB6 P18564 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6774349 0.84 ITGB3 (0.51) ITGB1ITGA5F2ITGB3ITGAV
SCHEMBL6772284 0.81 RAB9A (0.55) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL6768513 0.81 ITGB3 (0.56) ITGB1ITGA5F2ITGB3ITGAV
SCHEMBL6768600 0.80 HTT (0.50) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL6773136 0.79 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL6773294 0.79 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL7029988 0.79 ITGB1 (0.55) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL6799057 0.79 AKR1C3 (0.52) ITGB1ITGA5KDM4EALDH1A1LMNA
SCHEMBL6768527 0.79 ITGB3 (0.52) ITGB1ITGA5F2ITGB3ITGAV
SCHEMBL6771727 0.79 ITGB1 (0.48) ITGB1ITGA5F2ITGB3ITGAV

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