SCHEMBL6471604

SCHEMBL6471604

CCOC(=O)CNC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(-c2noc(=O)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.72
ITGA2B P08514 13/20 0.72
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
BRD4 O60885 2/20 0.40
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6532497 0.89 ITGB3 (0.70) ITGB3ITGA2BF11KLKB1BRD4
SCHEMBL6475730 0.84 ITGB3 (1.00) ITGB3ITGA2B
Acetic Acid SCHEMBL6474255 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6474941 0.83 ITGB3 (0.85) ITGB3ITGA2B
SCHEMBL6474942 0.83 ITGB3 (0.85) ITGB3ITGA2B
SCHEMBL6471726 0.83 ITGB3 (0.72) ITGB3ITGA2BF11KLKB1BRD4
SCHEMBL8286641 0.73 ITGB3 (0.80) ITGB3ITGA2BBRD4ALDH1A1TP53
SCHEMBL6473921 0.73 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL6474923 0.73 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL22729291 0.72 ITGB3 (1.00) ITGB3ITGA2B

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
WO-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed