SCHEMBL28020282

SCHEMBL28020282

NC(=O)N1CCOCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
FKBP1A P62942 1/20 0.43
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.33
PDK1 Q15118 1/20 0.32
HSD17B10 Q99714 1/20 0.31
AGTR2 P50052 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL28310283 0.86 CA12 (0.45) CA12CA1CA2CA9FKBP1A
SCHEMBL29122407 0.84 CA12 (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL22091994 0.84 CA12 (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL5742303 0.84 CA12 (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL17327490 0.81 FKBP1A (0.46) CA12CA1CA2CA9FKBP1A
SCHEMBL19075596 0.80 FKBP1A (0.43) CA12CA1CA2CA9FKBP1A
SCHEMBL28451036 0.80 FKBP1A (0.43) CA12CA1CA2CA9FKBP1A
SCHEMBL30725353 0.79 CA12 (0.40) CA12CA1CA2CA9FKBP1A
SCHEMBL5635061 0.77 CA12 (0.36) CA12CA1CA2CA9FKBP1A
SCHEMBL1150296 0.77 CA12 (0.44) CA12CA1CA2CA9FKBP1A

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-102414190-B Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2015-06-03 CN claimed
CN-102414190-B Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2015-06-03 CN disclosed