SCHEMBL28083115

SCHEMBL28083115

CC=CC(=O)OCCC(=O)OCCS(=O)(=O)O.[CaH2]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
GSTP1 P09211 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 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
SCHEMBL28832245 0.98 ATM (0.34) ATMHCAR2ADRA2AADRA1AGSTP1
SCHEMBL28083102 0.97 ATM (0.33) ATMHCAR2ADRA2AADRA1AGSTP1
Ammonia Solution, Strong SCHEMBL28083063 0.97 ATM (0.33) ATMHCAR2ADRA2AADRA1AGSTP1
SCHEMBL17717475 0.88 ATM (0.41) ATMHCAR2GSTP1MAPTBLM
SCHEMBL4669965 0.88 ATM (0.41) ATMHCAR2GSTP1MAPTBLM
SCHEMBL16628614 0.80 ATM (0.46) ATMHCAR2GSTP1MAPT
SCHEMBL349288 0.78 ATM (0.47) ATMHCAR2GSTP1MAPT
SCHEMBL23388529 0.77 ADRA2A (0.45) ATMHCAR2ADRA2AADRA1AGSTP1
SCHEMBL11413125 0.77 ATM (0.46) ATMHCAR2MAPTBLM
SCHEMBL2725549 0.77 ATM (0.46) ATMHCAR2MAPTBLM

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
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed