SCHEMBL5879595

SCHEMBL5879595

O=C(O)CC1c2ccccc2C(=O)N(CC(=O)N2CCC(CCNc3ccccn3)C2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.64
ITGAV P06756 20/20 0.64
ITGA2B P08514 1/20 0.40

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
SCHEMBL5879659 0.95 ITGB3 (0.66) ITGB3ITGAVITGA2B
Acetic Acid SCHEMBL5879702 0.87 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL5879963 0.80 ITGB3 (0.90) ITGB3ITGAV
SCHEMBL5879524 0.79 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879590 0.76 ITGB3 (0.54) ITGB3ITGAV
SCHEMBL5879535 0.73 ITGB3 (0.75) ITGB3ITGAV
SCHEMBL5879712 0.72 KMT2A (0.55) ITGB3ITGAV
SCHEMBL5879626 0.71 ITGB3 (0.48) ITGB3ITGAV
SCHEMBL5879871 0.71 ALDH1A1 (0.50) ITGB3ITGAV
SCHEMBL5879798 0.70 ALDH1A1 (0.49) ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed