SCHEMBL28178115

SCHEMBL28178115

CCCCCCCCCCCC(=O)C(N)C(=O)OC.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
ZDHHC7 Q9NXF8 1/20 0.47
MEN1 O00255 1/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
DGKA P23743 1/20 0.44
MAPT P10636 1/20 0.42
CES1 P23141 2/20 0.42

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
SCHEMBL27545226 1.00 CES2 (0.48) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL27809918 0.98 CES2 (0.50) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL28145233 0.98 CES2 (0.50) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL27606030 0.98 CES2 (0.50) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL22262071 0.98 CES2 (0.50) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL27455274 0.98 CES2 (0.50) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL28143862 0.96 CES2 (0.48) CES2ZDHHC7MEN1FAAHMAPK1
SCHEMBL28036430 0.89 FAAH (0.56) MEN1FAAHKMT2AMAPT
SCHEMBL810808 0.83 CA1 (0.39) CES2ZDHHC7CES1
SCHEMBL11172888 0.82 CES2 (0.61) CES2MEN1KMT2ACES1

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-107485573-A A kind of toothpaste and manufacture method 张景和 2017-12-19 CN disclosed