SCHEMBL7744390

SCHEMBL7744390

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.40
PLAU P00749 2/20 0.40
F10 P00742 1/20 0.40
KLKB1 P03952 1/20 0.40
NPY4R P50391 5/20 0.34
NPY1R P25929 3/20 0.34
F2 P00734 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE3A Q14432 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
PSEN1 P49768 2/20 0.30
TTPA P49638 1/20 0.30
NPY2R P49146 2/20 0.30
NPY5R Q15761 2/20 0.30
NR1I2 O75469 1/20 0.30
ALOX5 P09917 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
SCHEMBL7020069 0.80 PLG (0.49) PLGPLAUF10KLKB1NPY4R
SCHEMBL4986565 0.80 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL4986571 0.80 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL8529439 0.80 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL1740223 0.80 PLG (0.49) PLGPLAUF10KLKB1F2
SCHEMBL7165122 0.78 PLG (0.35) PLGPLAUF10KLKB1
SCHEMBL4428219 0.78 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4437400 0.78 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4426832 0.78 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL7170382 0.78 PLG (0.35) PLGPLAUF10KLKB1NPY4R

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-6426401-B1 ADMINISTERING PEPTIDE TECNOGEN S.C.P.A. (IT) 2002-07-30 US claimed