SCHEMBL8961328

SCHEMBL8961328

CSC(=NCCCC(=O)CNCc1ccccc1)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.38
PLAU P00749 2/20 0.38
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
F2 P00734 2/20 0.34
ST14 Q9Y5Y6 1/20 0.34
ALOX5 P09917 2/20 0.33

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
SCHEMBL8961475 0.82 PLG (0.42) PLGPLAUF10KLKB1HDAC3
SCHEMBL850468 0.69 PLG (0.45) PLGPLAUF10KLKB1F2
SCHEMBL4431792 0.69 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL6455667 0.67 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL8961190 0.65 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL7038739 0.64 PLG (0.43) PLGPLAUF10KLKB1HDAC3
SCHEMBL18620596 0.63 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL18545144 0.63 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4438826 0.62 SIRT2 (0.44) PLGPLAUF10KLKB1
SCHEMBL7799060 0.61 PLG (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693081-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION Novartis AG (CH) 1996-01-24 EP disclosed
WO-1994024153-A1 CYCLIC COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION CIBA-GEIGY AG (CH) 1994-10-27 WO disclosed