SCHEMBL880096

SCHEMBL880096

Cc1cc(OCCCO)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OCCCC(F)(F)C(F)(F)F)c1)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.38
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL849216 0.92 PTH1R (0.36) PTH1R
SCHEMBL849214 0.92 PTH1R (0.36) PTH1R
SCHEMBL16358652 0.92 PTH1R (0.36) PTH1R
SCHEMBL849215 0.92 PTH1R (0.36) PTH1R
SCHEMBL849213 0.92 PTH1R (0.36) PTH1R
SCHEMBL13554020 0.90 PTH1R (0.37) PTH1R
SCHEMBL13554021 0.89 PTH1R (0.52) PTH1R
SCHEMBL850208 0.88 PTH1R (0.36) PTH1R
SCHEMBL850209 0.88 PTH1R (0.36) PTH1R
SCHEMBL850493 0.86 PTH1R (0.36) PTH1RMMP2MMP3

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-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed