SCHEMBL7919744

SCHEMBL7919744

CC(C)(C)OC(=O)C(CNC(=O)N1CCC(c2ccc3c(n2)NCCC3)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.52
ITGB3 P05106 11/20 0.52
ITGB6 P18564 10/20 0.52
ITGB1 P05556 3/20 0.52
ITGA5 P08648 2/20 0.52
ITGB5 P18084 2/20 0.52
ITGB8 P26012 1/20 0.52
ITGA2B P08514 5/20 0.49

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
SCHEMBL7919755 0.90 ITGB3 (0.61) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL6016500 0.80 ITGAV (0.51) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237215 0.80 ITGAV (0.58) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL7395076 0.79 ENPP3 (0.37) ITGB3ITGA2B
SCHEMBL7487509 0.78 ITGB3 (0.81) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL275017 0.77 ITGAV (0.85) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL274691 0.77 ITGAV (0.77) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237209 0.76 ITGAV (0.57) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237214 0.76 ITGAV (0.57) ITGAVITGB3ITGB6ITGB1ITGA5
SCHEMBL13237208 0.76 ITGB3 (0.55) ITGAVITGB3ITGB6ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP disclosed
US-5919792-A Integrin antagonists MERCK & CO., INC. (US) 1999-07-06 US disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed