SCHEMBL8961475

SCHEMBL8961475

Cc1c(C)c(S(=O)(=O)NC(=N)NCCCC(=O)CNCc2ccccc2)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.42
PLAU P00749 2/20 0.42
F10 P00742 1/20 0.42
KLKB1 P03952 1/20 0.42
ALOX5 P09917 3/20 0.36
F2 P00734 2/20 0.34
ST14 Q9Y5Y6 1/20 0.34
BCHE P06276 8/20 0.33
ACHE P22303 8/20 0.33
OPRL1 P41146 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL850468 0.84 PLG (0.45) PLGPLAUF10KLKB1ALOX5
SCHEMBL8961190 0.83 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL8961328 0.82 PLG (0.38) PLGPLAUF10KLKB1ALOX5
SCHEMBL8961420 0.81 KMT2A (0.38) PLGPLAUF10KLKB1BCHE
SCHEMBL8112581 0.77 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL18506897 0.77 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4430680 0.77 PLG (0.44) PLGPLAUF10KLKB1F2
SCHEMBL4438826 0.77 SIRT2 (0.44) PLGPLAUF10KLKB1
SCHEMBL4428219 0.77 PLG (0.41) PLGPLAUF10KLKB1ALOX5
SCHEMBL4437400 0.77 PLG (0.41) PLGPLAUF10KLKB1ALOX5

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