SCHEMBL28322652

SCHEMBL28322652

CCOC(=O)C(=O)OC(=O)CNC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 1/20 0.40
SOAT1 P35610 1/20 0.39
MAPT P10636 2/20 0.37
TRPA1 O75762 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
FAAH O00519 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL179686 0.80
Hydrogen Sulfide SCHEMBL27338739 0.78
Hydrochloric Acid SCHEMBL394409 0.78
Bromide SCHEMBL6993072 0.78
SCHEMBL15413045 0.77 SOAT1 (0.55) GAAMGAMSIMGAM2EGLN1
SCHEMBL124341 0.77 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27660438 0.76 MGAM (0.33) GAAMGAMSIMGAM2TSHR
Ammonia Solution, Strong SCHEMBL28479930 0.75 GAA (0.44) GAAMGAMSIMGAM2EGLN1
SCHEMBL25006073 0.75 ALDH1A1 (0.42) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL28732456 0.74 GAA (0.54) GAAMGAMSIMGAM2EGLN1

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-110300586-A ANTI-INFLAMMATORY COMPOSITIONS COMPRISING IRAK AND JAK INHIBITORS 加拉帕戈斯股份有限公司 2019-10-01 CN disclosed