SCHEMBL7442880

SCHEMBL7442880

CCOc1ncc([C@H](CC(=O)O)CC(=O)CCCCc2ccc3c(n2)NCCC3)cn1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.70
ITGB3 P05106 15/20 0.70
ITGB6 P18564 8/20 0.60
ITGB8 P26012 8/20 0.60
ITGB5 P18084 3/20 0.55

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
SCHEMBL7440167 1.00 ITGAV (0.70) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7440198 1.00 ITGAV (0.70) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255108 0.97 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255745 0.97 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255148 0.97 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7433549 0.92 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7437194 0.92 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7436110 0.92 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7442798 0.90 ITGAV (0.70) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL7448843 0.90 ITGAV (0.70) ITGAVITGB3ITGB6ITGB8ITGB5

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