SCHEMBL7434458

SCHEMBL7434458

Cc1cc2c(nc1CCCCC(=O)C[C@H](CC(=O)O)c1cnc3ccccc3c1)NCCC2

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.62
ITGB3 P05106 16/20 0.62
ITGA2B P08514 5/20 0.54
ITGB5 P18084 3/20 0.53
ITGB6 P18564 4/20 0.52
ITGB8 P26012 4/20 0.52

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
SCHEMBL7434450 1.00 ITGAV (0.62) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7441104 1.00 ITGAV (0.62) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7437615 0.88 ITGAV (0.59) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7445057 0.88 ITGAV (0.59) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7437579 0.88 ITGAV (0.59) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7444473 0.86 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7439664 0.86 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL7448931 0.86 ITGAV (0.82) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5248276 0.86 ITGAV (0.59) ITGAVITGB3ITGA2BITGB5ITGB6
SCHEMBL5249099 0.86 ITGAV (0.59) ITGAVITGB3ITGA2BITGB5ITGB6

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