SCHEMBL28426461

SCHEMBL28426461

O=C(CCCCC(=O)OCCC(CO)(CO)CO)OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
MGLL Q99685 1/20 0.41
DNM1 Q05193 1/20 0.36
EPHX2 P34913 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
PAM P19021 2/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL7027046 0.94 DGKA (0.47) DGKAMGLLDNM1TSHRCYP3A4
SCHEMBL28022258 0.92 DGKA (0.50) DGKADNM1TSHRCYP3A4ATM
SCHEMBL28859367 0.90 EPHX2 (0.44) DGKAMGLLDNM1EPHX2TSHR
Di(Hydroxyethyl)Ether SCHEMBL28859379 0.87 GPR84 (0.37) DGKAMGLLDNM1EPHX2TSHR
SCHEMBL542103 0.86 ADRA2A (0.43) DGKATSHRCYP3A4TDP1ADRA2A
Di(Hydroxyethyl)Ether SCHEMBL28859401 0.85 GPR84 (0.40) DGKAMGLLDNM1EPHX2TSHR
SCHEMBL8872608 0.85 DGKA (0.63) DGKAMGLLDNM1TSHRCYP3A4
SCHEMBL2701490 0.84 DGKA (0.67) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL2700868 0.84 DGKA (0.67) DGKADNM1TSHRPRSS1PRSS2
SCHEMBL187746 0.84 DGKA (0.67) DGKADNM1TSHRPRSS1PRSS2

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
CN-112679689-B Organosilicon quaternary ammonium salt modified polyurethane and preparation method and application thereof 广州城市职业学院 2022-04-26 CN disclosed
CN-112679689-A Organosilicon quaternary ammonium salt modified polyurethane and preparation method and application thereof 广州城市职业学院 2021-04-20 CN disclosed
CN-107501514-B Casting type polyurethane elastomer semi-prepolymer for producing screen printing rubber scraper 百恩实业(深圳)有限公司 2020-07-14 CN disclosed