SCHEMBL28046576

SCHEMBL28046576

CC(C)(C)OC(=O)N[C@H](Cc1cncn1C(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.49
PTGS2 P35354 2/20 0.42
MTOR P42345 2/20 0.39

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
SCHEMBL28046578 1.00 F10 (0.49) F10PTGS2MTOR
SCHEMBL28046583 0.82 F10 (0.49) F10PTGS2MTOR
SCHEMBL13755807 0.81 F10 (0.65) F10PTGS2
SCHEMBL28046626 0.80 F10 (0.56) F10PTGS2
SCHEMBL28046633 0.80 F10 (0.56) F10PTGS2
SCHEMBL28046627 0.80 F10 (0.56) F10PTGS2
SCHEMBL23466730 0.80 F10 (0.52) F10PTGS2
SCHEMBL28974538 0.80 F10 (0.52) F10PTGS2
SCHEMBL28974541 0.80 F10 (0.52) F10PTGS2
SCHEMBL23466729 0.80 F10 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294669-B A kind of factor X inhibitor and its preparation method and application 山东凯森制药有限公司 2019-01-22 CN disclosed
CN-105294669-A Tenth factor inhibitor and preparation method and application thereof SHANDONG KAISEN PHARMA CO LTD 2016-02-03 CN disclosed