SCHEMBL25523663

SCHEMBL25523663

CC(C)(C)OC(=O)N1C/C(=N\OCc2ccccc2)CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 14/20 0.50
KLK7 P49862 1/20 0.48
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.40
CTSL P07711 1/20 0.40

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
SCHEMBL20741005 0.86 KLK7 (0.44) FKBP1AKLK7HSD11B1
SCHEMBL20741003 0.86 KLK7 (0.44) FKBP1AKLK7HSD11B1
SCHEMBL19209005 0.86 KLK7 (0.44) FKBP1AKLK7HSD11B1
SCHEMBL19245206 0.84 KLK7 (0.43) FKBP1AKLK7HSD11B1PARP1
SCHEMBL4943086 0.82 MMP1 (0.44) KLK7HSD11B1MEN1KMT2A
SCHEMBL4943089 0.82 MMP1 (0.44) KLK7HSD11B1MEN1KMT2A
SCHEMBL5970730 0.82 KLK7 (0.66) FKBP1AKLK7MEN1KMT2A
SCHEMBL159104 0.82 KLK7 (0.66) FKBP1AKLK7MEN1KMT2A
SCHEMBL159105 0.82 KLK7 (0.66) FKBP1AKLK7MEN1KMT2A
SCHEMBL13257218 0.81 FKBP1A (0.70) FKBP1AKLK7MEN1KMT2A

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-2023088375-A1 β-LACTAMASE INHIBITOR INTERMEDIATE AND PREPARATION METHOD THEREFOR 苏州信诺维医药科技股份有限公司 2023-05-25 WO disclosed