SCHEMBL4261535

SCHEMBL4261535

CCOC(=O)N1CC(OC(=O)N2Cc3cccc(F)c3C2)CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 2/20 0.43
▸ DPP9 Q86TI2 2/20 0.43
▸ DPP7 Q9UHL4 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TRAP1 Q12931 5/20 0.37
▸ HSP90B1 P14625 3/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ABHD6 Q9BV23 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACE P12821 2/20 0.34
▸ ABCB11 O95342 1/20 0.34

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
SCHEMBL8203249 0.89 DPP8 (0.40) DPP8DPP9DPP7HRH3TRAP1
SCHEMBL4261537 0.88 DPP8 (0.41) DPP8DPP9DPP7HRH3ALDH1A1
SCHEMBL14963380 0.87 DDB1 (0.43) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL2154075 0.87 DDB1 (0.43) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL1082163 0.87 DDB1 (0.43) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL6912998 0.87 DDB1 (0.43) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL13223027 0.87 DPP8 (0.41) DPP8DPP9DPP7TRAP1HSP90B1
SCHEMBL9978699 0.85 DDB1 (0.41) DPP8DPP9DPP7HRH3ALDH1A1
SCHEMBL9978696 0.85 DDB1 (0.41) DPP8DPP9DPP7HRH3ALDH1A1
SCHEMBL12725885 0.80 DDB1 (0.44) TRAP1NAMPTPOLBABHD6

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-2009046098-A1 NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 — — WO disclosed
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