SCHEMBL9067409

SCHEMBL9067409

CCOC(OCC)(OCC)OC(=O)CC(CC(=O)OC(OCC)(OCC)OCC)C(=O)OC(OCC)(OCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL9067418 0.80 FOLH1 (0.37) ALDH1A1
SCHEMBL784015 0.74 ALDH1A1 (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL783608 0.74 ALDH1A1 (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL783994 0.71 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL783715 0.68 ALDH1A1 (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27878047 0.67 CYP2D6 (0.40) GAAMEN1KMT2A
SCHEMBL8719366 0.66 MGAM (0.52) MGAMGAASIMGAM2MEN1
SCHEMBL440012 0.65 MGAM (0.36) MGAMGAASIMGAM2
SCHEMBL6250770 0.65 CYP2D6 (0.39) GAAMEN1KMT2A
SCHEMBL6248155 0.65 CYP2D6 (0.39) GAAMEN1KMT2A

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
US-5576406-A ACRYLATE POLYMERS FOR PAINTS, ADHESIVES OR SEALS DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-11-19 US disclosed