SCHEMBL29808488

SCHEMBL29808488

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC(COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.68
NR1I2 O75469 1/20 0.68
PGR P06401 1/20 0.68
PTGS2 P35354 1/20 0.68
PDE4D Q08499 1/20 0.68
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
FAAH O00519 3/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
PRKCE Q02156 1/20 0.59
PRKCQ Q04759 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKCA P17252 1/20 0.59

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
SCHEMBL31210188 0.95 FAAH (0.69) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL17133147 0.94 ALDH1A1 (0.69) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL114353 0.94 ALDH1A1 (0.69) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL17667965 0.94 ALDH1A1 (0.69) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL17667964 0.94 ALDH1A1 (0.69) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL17133159 0.94 ALDH1A1 (0.69) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL23269247 0.93 NR1I2 (0.59) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL31516061 0.93 PRKCA (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL31515848 0.93 PRKCA (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL31469160 0.93 PRKCA (0.70) ADORA3NR1I2PGRPTGS2PDE4D

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-109153693-B Safe and stable plasmalogen, preparation thereof, and method for determining non-diseased state of cognitive disorder 有限会社梅田事务所 2022-08-02 CN disclosed