SCHEMBL7100587

SCHEMBL7100587

CC1(CCl)OCC(CCl)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.31
CA2 P00918 2/20 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
SCHEMBL6297982 0.87 ALDH1A1 (0.39) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL10752574 0.85 MEN1 (0.46) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL7100830 0.83 ALDH1A1 (0.36) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL6425533 0.83 MEN1 (0.33) CHRM2CHRM4CHRM5CHRM3MEN1
SCHEMBL10981085 0.79 CTDSP1 (0.41) ALDH1A1TDP1CHRM2CHRM4CHRM5
SCHEMBL1077396 0.77
SCHEMBL150257 0.77
SCHEMBL1204186 0.77
SCHEMBL7102512 0.73 CTDSP1 (0.61) ALDH1A1MEN1LMNAKMT2ACTDSP1
SCHEMBL10567741 0.72 ALDH1A1 (0.46) ALDH1A1TDP1CHRM2CHRM4CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090916-B1 4-methylene-1,3-dioxolanes having functional groups DAINIPPON INK & CHEMICALS (JP) 2003-09-03 EP disclosed
US-6388104-B1 ODORLESS CROSSLINKING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-14 US disclosed
EP-1090916-A1 4-methylene-1,3-dioxolanes having functional groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-04-11 EP disclosed