SCHEMBL4435450

SCHEMBL4435450

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(CO)OCC(O)CO

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.69
PRKCA P17252 3/20 0.63
PRKCE Q02156 2/20 0.63
PRKCQ Q04759 2/20 0.63
PRKCD Q05655 2/20 0.63
FAAH O00519 5/20 0.60
FFAR1 O14842 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
KDM4E B2RXH2 1/20 0.56
DUSP3 P51452 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.56
SELP P16109 1/20 0.56
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL2550552 0.92 DGKA (0.81) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL2120988 0.91 DGKA (0.83) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL15687 0.91 DGKA (0.83) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL2697011 0.91 DGKA (0.83) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL27520657 0.91 DGKA (0.83) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL9510703 0.90 DGKA (0.77) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL28029821 0.90 DGKA (0.81) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL5421690 0.89 PRKCA (0.80) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL6978787 0.89 PRKCA (0.80) DGKAPRKCAPRKCEPRKCQPRKCD
SCHEMBL7570544 0.89 FAAH (0.76) DGKAPRKCAPRKCEPRKCQPRKCD

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-115595048-A Compound deodorant as well as preparation method and application thereof 上海贝辉木业有限公司(CN) 2023-01-13 CN disclosed
JP-2009126845-A ANTIMICROBIAL AGENT AND SKINCARE PREPARATION FOR EXTERNAL USE CONTAINING THE SAME TAIYO CORP 2009-06-11 JP disclosed