SCHEMBL28046642

SCHEMBL28046642

COC(=O)CC(N)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.56
PTGS2 P35354 2/20 0.51

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
SCHEMBL28046638 1.00 F10 (0.56) F10PTGS2
SCHEMBL28046585 1.00 F10 (0.56) F10PTGS2
SCHEMBL4032225 0.87 F10 (0.64) F10PTGS2
Hydrochloric Acid SCHEMBL4482156 0.86 F10 (0.62) F10PTGS2
Hydrochloric Acid SCHEMBL4482159 0.86 F10 (0.62) F10PTGS2
SCHEMBL5625339 0.85 F10 (0.58) F10PTGS2
SCHEMBL5624973 0.85 F10 (0.58) F10PTGS2
SCHEMBL4456113 0.85 F10 (0.60) F10
SCHEMBL4034996 0.85 F10 (0.66) F10PTGS2
SCHEMBL4470807 0.85 F10 (0.66) F10PTGS2

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
CN-105294669-A Tenth factor inhibitor and preparation method and application thereof SHANDONG KAISEN PHARMA CO LTD 2016-02-03 CN disclosed