SCHEMBL7443095

SCHEMBL7443095

CCOC(=O)C[C@H](CC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)OCC2

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.66
ITGAV P06756 20/20 0.66
ITGB6 P18564 10/20 0.58
ITGA2B P08514 3/20 0.58
ITGB1 P05556 1/20 0.58
ITGB5 P18084 8/20 0.51
ITGB8 P26012 7/20 0.51

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
SCHEMBL7443091 1.00 ITGB3 (0.66) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7434333 0.90 ITGAV (0.81) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7440561 0.90 ITGAV (0.81) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7434321 0.90 ITGAV (0.81) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7434705 0.85 ITGAV (0.49) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL7434712 0.85 ITGAV (0.49) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL14608716 0.84 ITGAV (0.66) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6432161 0.82 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6432159 0.82 ITGB3 (0.60) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL14608717 0.82 ITGAV (0.68) ITGB3ITGAVITGB6ITGA2BITGB5

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-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed