SCHEMBL13399243

SCHEMBL13399243

CC(C)(C)OC(=O)NC1CCC2CCCN2C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.46
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSK P43235 2/20 0.39
BTK Q06187 1/20 0.39
MAP4K4 O95819 2/20 0.36

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
SCHEMBL33525505 1.00 FPR2 (0.46) FPR2F2F10PRSS1GAA
SCHEMBL12185691 1.00 FPR2 (0.46) FPR2F2F10PRSS1GAA
SCHEMBL33525685 1.00 FPR2 (0.46) FPR2F2F10PRSS1GAA
SCHEMBL33525732 0.92 FPR2 (0.51) FPR2F2F10PRSS1GAA
SCHEMBL25867492 0.91 F2 (0.45) FPR2F2F10PRSS1GAA
SCHEMBL31291969 0.90 FPR2 (0.50) FPR2F2F10PRSS1GAA
SCHEMBL13675582 0.89 FPR2 (0.49) FPR2F2F10PRSS1GAA
SCHEMBL31401675 0.85 FPR2 (0.45) FPR2F2F10PRSS1GAA
SCHEMBL31435429 0.85 GAA (0.43) FPR2F2F10PRSS1GAA
SCHEMBL15023291 0.83 FPR2 (0.53) FPR2F2F10PRSS1GAA

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-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 US disclosed