SCHEMBL20219376

SCHEMBL20219376

CC(=O)NC(C(=O)OCCCO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ACHE P22303 6/20 0.33
PSMB5 P28074 1/20 0.32
BIRC2 Q13490 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL18668791 0.95 ACHE (0.39) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL18668794 0.95 ACHE (0.39) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL16119929 0.91 MAPT (0.40) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL16119931 0.89 TRPV1 (0.40) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL21168990 0.84 MAPT (0.39) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL18686282 0.83 PLA2G2C (0.38) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL18668921 0.83 PLA2G2C (0.38) MAPTHSD17B10CNR1DAGLATRPV1
SCHEMBL5811182 0.81 MAPT (0.42) MAPTHSD17B10CNR1DAGLAMEN1
SCHEMBL5811181 0.81 MAPT (0.42) MAPTHSD17B10CNR1DAGLAMEN1
SCHEMBL20219344 0.79 CNR1 (0.34) MAPTHSD17B10CNR1DAGLATRPV1

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
EP-2771318-B1 NOVEL ESTERS OF N-ACYL DERIVATIVES OF AMINO ACIDS AND DIOLS, METHOD FOR PREPARING SAME, AND USE THEREOF IN COSMETICS AND AS A DRUG SOC DEXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) 2018-06-06 EP disclosed