SCHEMBL7621626

SCHEMBL7621626

CC(C)CCCCCCCCC(c1ccccc1)P(O)(O)(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.40
AOC3 Q16853 2/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
CSNK1E P49674 1/20 0.32
HTR2A P28223 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
SCHEMBL78492 1.00 MMP9 (0.40) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL1100624 0.98 MMP9 (0.38) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL10946158 0.95 MMP9 (0.38) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL7634496 0.95 MMP9 (0.38) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL17439194 0.81 AOC3 (0.36) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL381783 0.81 AOC3 (0.36) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL1975756 0.81 AOC3 (0.36) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL10941115 0.77 AOC3 (0.33) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL30529921 0.75 RARB (0.35) MMP9AOC3POLBCTDSP1ALDH1A1
SCHEMBL21403906 0.75 MMP9 (0.40) MMP9AOC3POLBCTDSP1ALDH1A1

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-0658592-B1 Stabiliser composition for chlorinated polymer containing beta-diketones RHODIA CHIMIE SA (FR) 2002-02-06 EP disclosed
EP-0658592-A1 Stabiliser composition for chlorinated polymer containing beta-diketones RHONE-POULENC CHIMIE (FR) 1995-06-21 EP disclosed