SCHEMBL28085281

SCHEMBL28085281

O=C(CCS)OCCOOCCOC(=O)CCS

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
DNM1 Q05193 1/20 0.34
APP P05067 1/20 0.32
ACE P12821 2/20 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
SCHEMBL98980 0.92 DGKA (0.46) DGKAADRA2AADRA1ATDP1MAPT
Cyclopropane SCHEMBL99057 0.85 DGKA (0.41) DGKAADRA2AADRA1ATDP1MAPT
SCHEMBL98263 0.85 DGKA (0.41) DGKAADRA2AADRA1ATDP1MAPT
SCHEMBL98818 0.85 DGKA (0.41) DGKAADRA2AADRA1ATDP1MAPT
Ethylene Glycol SCHEMBL2593485 0.85 DGKA (0.41) DGKAADRA2AADRA1ATDP1MAPT
SCHEMBL98157 0.85 DGKA (0.41) DGKAADRA2AADRA1ATDP1MAPT
SCHEMBL16922373 0.85 DGKA (0.41) DGKAADRA2AADRA1ATDP1MAPT
SCHEMBL3517702 0.84
SCHEMBL11545359 0.83 DGKA (0.45) DGKAADRA2AADRA1ATDP1MAPT
SCHEMBL28466792 0.82 FNTA (0.44) DGKAADRA2AADRA1ATDP1MAPT

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
CN-105793738-A POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL AND METHOD FOR PRODUCING SAME 三井化学株式会社 2016-07-20 CN disclosed