SCHEMBL7020069

SCHEMBL7020069

Cc1c(C)c(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.49
PLAU P00749 2/20 0.49
F10 P00742 1/20 0.49
KLKB1 P03952 1/20 0.49
F2 P00734 2/20 0.38
ST14 Q9Y5Y6 1/20 0.38
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
NPY4R P50391 5/20 0.31
NPY1R P25929 3/20 0.31
NPY2R P49146 3/20 0.31
NPY5R Q15761 3/20 0.31
NR1I2 O75469 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE4A P27815 1/20 0.30
PDE3A Q14432 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
SCHEMBL1740223 0.94 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL8529439 0.94 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL8526287 0.86 PLG (0.48) PLGPLAUF10KLKB1F2
SCHEMBL7170050 0.85 PLG (0.43) PLGPLAUF10KLKB1F2
SCHEMBL7170375 0.85 PLG (0.43) PLGPLAUF10KLKB1F2
SCHEMBL7165117 0.85 PLAU (0.43) PLGPLAUF10KLKB1F2
SCHEMBL8526793 0.84 PLG (0.47) PLGPLAUF10KLKB1F2
SCHEMBL1323026 0.84 PLG (0.45) PLGPLAUF10KLKB1F2
SCHEMBL30822847 0.84 PLG (0.45) PLGPLAUF10KLKB1F2
SCHEMBL29406228 0.84 PLG (0.45) PLGPLAUF10KLKB1F2

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
EP-1275657-A1 PEPTIDE DERIVATIVES AND MEDICINAL COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2003-01-15 EP disclosed