SCHEMBL8961190

SCHEMBL8961190

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

nearest known ligand 0.40

Predicted protein targets (top 13)

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
F2 P00734 2/20 0.34
ST14 Q9Y5Y6 1/20 0.32
RAB9A P51151 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TTPA P49638 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
SCHEMBL18506897 0.84 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4428219 0.84 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4426832 0.84 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4437400 0.84 PLG (0.41) PLGPLAUF10KLKB1F2
SCHEMBL8961475 0.83 PLG (0.42) PLGPLAUF10KLKB1F2
SCHEMBL4438412 0.83 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL4428216 0.82 PLG (0.40) PLGPLAUF10KLKB1F2
SCHEMBL18586526 0.81 PLG (0.39) PLGPLAUF10KLKB1F2
SCHEMBL8961205 0.81 HDAC3 (0.41) PLGPLAUF10KLKB1F2
SCHEMBL4986565 0.80 PLG (0.39) 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