SCHEMBL25464992

SCHEMBL25464992

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CYP19A1 P11511 1/20 0.30
FAAH O00519 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL6572212 0.82 MGAM (0.41) MGAMGAASIMGAM2ALOX15
SCHEMBL15513264 0.82 MGAM (0.41) MGAMGAASIMGAM2ALOX15
SCHEMBL25465012 0.79 MGAM (0.39) MGAMGAASIMGAM2
SCHEMBL9304208 0.79 MGAM (0.46) MGAMGAASIMGAM2TDP1
SCHEMBL17847707 0.79 GAA (0.46) MGAMGAASIMGAM2ALOX15
SCHEMBL22031570 0.79 MGAM (0.46) MGAMGAASIMGAM2TDP1
SCHEMBL18154853 0.79 ALOX15 (0.47) MGAMGAASIMGAM2ALOX15
SCHEMBL1171910 0.79 GAA (0.46) MGAMGAASIMGAM2ALOX15
SCHEMBL2701579 0.78 GAA (0.60) MGAMGAASIMGAM2TDP1
SCHEMBL13738977 0.78 GAA (0.44) MGAMGAASIMGAM2ALOX15

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
WO-2023083570-A1 POLYOL-DERIVED COMPOUNDS ARXADA AG (CH) 2023-05-19 WO disclosed