SCHEMBL27770278

SCHEMBL27770278

CN1CCCC(NNC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSK P43235 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
BTK Q06187 1/20 0.37
KCNA3 P22001 1/20 0.36
NAAA Q02083 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSL P07711 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL27770253 0.92 CTSK (0.39) GAAF2F10PRSS1CTSK
SCHEMBL2386992 0.86 F2 (0.48) GAAF2F10PRSS1CTSK
SCHEMBL4097703 0.86 F2 (0.48) GAAF2F10PRSS1CTSK
SCHEMBL2386997 0.86 F2 (0.48) GAAF2F10PRSS1CTSK
SCHEMBL2456099 0.82 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL2460778 0.82 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL5637239 0.82 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL2456097 0.82 GAA (0.46) GAAF2F10PRSS1CTSK
SCHEMBL27749157 0.81 IDH1 (0.38) NAAA
SCHEMBL27628821 0.77 FPR2 (0.43) GAAF2F10PRSS1CTSK

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-101454313-A P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2009-06-10 CN disclosed