SCHEMBL9558952

SCHEMBL9558952

CCOC(=O)CC(NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1F)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.54
ITGA2B P08514 16/20 0.54
F10 P00742 4/20 0.46
F2 P00734 4/20 0.46
PRSS1 P07477 1/20 0.44

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
SCHEMBL9558537 0.89 ITGB3 (0.53) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9558865 0.88 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7353167 0.85 ITGB3 (0.75) ITGB3ITGA2BF2
SCHEMBL9559139 0.81 ITGB3 (0.48) ITGB3ITGA2BF10F2
SCHEMBL9558957 0.80 ITGB3 (0.58) ITGB3ITGA2BF10F2
SCHEMBL9559116 0.79 ITGB3 (0.58) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7421569 0.79 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL9559169 0.79 ITGB3 (0.54) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7143502 0.78 MAPT (0.49) ITGB3ITGA2BF2
SCHEMBL7386054 0.77 ITGB3 (0.76) ITGB3ITGA2BF10F2PRSS1

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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed