SCHEMBL2458360

SCHEMBL2458360

CN1CC[C@H](NC(=O)OC(C)(C)C)C1=O.CN1CC[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CTSK P43235 2/20 0.47
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
BTK Q06187 1/20 0.43
NAAA Q02083 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HPGDS O60760 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.39
KCNA3 P22001 1/20 0.39
FPR2 P25090 1/20 0.38

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
SCHEMBL21887787 1.00 GAA (0.49) GAACTSKF2F10PRSS1
SCHEMBL4099515 1.00 GAA (0.49) GAACTSKF2F10PRSS1
SCHEMBL4099514 1.00 GAA (0.49) GAACTSKF2F10PRSS1
SCHEMBL4097703 0.91 F2 (0.48) GAACTSKF2F10PRSS1
SCHEMBL2386997 0.91 F2 (0.48) GAACTSKF2F10PRSS1
SCHEMBL2386992 0.91 F2 (0.48) GAACTSKF2F10PRSS1
SCHEMBL2456099 0.90 GAA (0.46) GAACTSKF2F10PRSS1
SCHEMBL2456097 0.90 GAA (0.46) GAACTSKF2F10PRSS1
SCHEMBL5637239 0.90 GAA (0.46) GAACTSKF2F10PRSS1
SCHEMBL2460778 0.90 GAA (0.46) GAACTSKF2F10PRSS1

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
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed