SCHEMBL27563545

SCHEMBL27563545

CCOc1ncc(C(CCC(=O)CCCCc2ccc3c(n2)NCCCC3)C(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.55
ITGB3 P05106 15/20 0.55
ITGB6 P18564 6/20 0.48
ITGB8 P26012 3/20 0.47
ITGB5 P18084 1/20 0.46

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
SCHEMBL5315743 0.87 ITGAV (0.67) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5315742 0.87 ITGAV (0.67) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL6431348 0.87 ITGAV (0.60) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL6431343 0.87 ITGAV (0.60) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255148 0.85 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255745 0.85 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5255108 0.85 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5304862 0.85 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5304869 0.85 ITGAV (0.63) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL5298453 0.83 ITGAV (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589145-A Alpha v integrin receptor antagonists MERCK & CO INC (US) 2005-03-02 CN disclosed
CN-1399643-A Primary nucleotide sequence of shrimp white spot baculovirus, discovery system and detection kit containing sequence and antiviral target for detecting and controlling shrimp virus outbreak and spread THIRD INST OF OCEANOGRAPHY STA (CN) 2003-02-26 CN disclosed