SCHEMBL7447166

SCHEMBL7447166

COc1cncc([C@H](CC(=O)O)CC(=O)CCCCc2ccc3c(n2)NCCC3)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.63
ITGB3 P05106 19/20 0.63
ITGB6 P18564 6/20 0.63
ITGB5 P18084 5/20 0.63
ITGB8 P26012 5/20 0.63
ITGA2B P08514 1/20 0.59

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
SCHEMBL7434288 1.00 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7434301 1.00 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7437433 0.86 ITGAV (0.80) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7437407 0.86 ITGAV (0.80) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7439729 0.86 ITGAV (0.80) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5246840 0.86 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5246844 0.86 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5250724 0.86 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7436110 0.86 ITGAV (0.81) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7437194 0.86 ITGAV (0.81) ITGAVITGB3ITGB6ITGB5ITGB8

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