SCHEMBL28046633

SCHEMBL28046633

COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.56
PTGS2 P35354 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL28046627 1.00 F10 (0.56) F10PTGS2CA12CA1CA2
SCHEMBL28046626 1.00 F10 (0.56) F10PTGS2CA12CA1CA2
SCHEMBL13755807 0.88 F10 (0.65) F10PTGS2
SCHEMBL23466730 0.84 F10 (0.52) F10PTGS2
SCHEMBL23466729 0.84 F10 (0.52) F10PTGS2
SCHEMBL28974541 0.84 F10 (0.52) F10PTGS2
SCHEMBL28974538 0.84 F10 (0.52) F10PTGS2
SCHEMBL4029840 0.81 F10 (0.77) F10
SCHEMBL4029834 0.81 F10 (0.77) F10
SCHEMBL28046585 0.81 F10 (0.56) 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