SCHEMBL6773230

SCHEMBL6773230

O=C(O)C[C@H](Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccc(OCCCCNc2cccc[n+]2[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGAV P06756 5/20 0.44
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
ITGA2B P08514 9/20 0.40
CYSLTR1 Q9Y271 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
NPY1R P25929 1/20 0.35
NPY5R Q15761 1/20 0.35
KAT6A Q92794 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6769481 0.87 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6771102 0.83 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6775123 0.73 ALDH1A1 (0.46) ITGB3ITGAVKAT6AALDH1A1
SCHEMBL6951280 0.71 F2 (0.54) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL6774218 0.69 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6175356 0.69 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5
SCHEMBL6774096 0.66 LTA4H (0.41) ITGB3ITGAVITGB1ITGA5ALDH1A1
SCHEMBL6768513 0.66 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7033356 0.65 ALDH1A1 (0.47) CYSLTR1ALDH1A1
SCHEMBL6773136 0.65 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGA2B

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