SCHEMBL28832245

SCHEMBL28832245

CC=CC(=O)OCCC(=O)OCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
GSTP1 P09211 1/20 0.31
DGKA P23743 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
SCHEMBL28083102 0.98 ATM (0.33) ATMHCAR2ADRA2AADRA1AMAPT
Ammonia Solution, Strong SCHEMBL28083063 0.98 ATM (0.33) ATMHCAR2ADRA2AADRA1AMAPT
SCHEMBL28083115 0.98 ATM (0.33) ATMHCAR2ADRA2AADRA1AMAPT
SCHEMBL4669965 0.90 ATM (0.41) ATMHCAR2MAPTBLMGSTP1
SCHEMBL17717475 0.90 ATM (0.41) ATMHCAR2MAPTBLMGSTP1
SCHEMBL349288 0.80 ATM (0.47) ATMHCAR2MAPTGSTP1
SCHEMBL23388529 0.79 ADRA2A (0.45) ATMHCAR2ADRA2AADRA1AMAPT
SCHEMBL2725549 0.78 ATM (0.46) ATMHCAR2MAPTBLM
SCHEMBL11413125 0.78 ATM (0.46) ATMHCAR2MAPTBLM
SCHEMBL2723099 0.78 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