SCHEMBL10487183

SCHEMBL10487183

CCOC(=O)COCC(C)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
NLRP3 Q96P20 7/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 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
SCHEMBL29207624 0.85 MGAM (0.41) GLAMGAMGAASIMGAM2
SCHEMBL29207625 0.85 MGAM (0.41) GLAMGAMGAASIMGAM2
SCHEMBL9936569 0.85 TSHR (0.35) GLAMGAMGAASIMGAM2
SCHEMBL4465209 0.82 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4521363 0.77 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28144492 0.76 TDP1 (0.39) GLAMGAMGAASIMGAM2
SCHEMBL2682415 0.76 GAA (0.60) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28324955 0.76 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26978064 0.76 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2604481 0.76 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801699-A COATINGS, ADHESIVES, WET STRENGTH AGENTS IN PAPERMAKING NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-01-31 US disclosed
US-4749800-A DIALKOXYPROPIONYL QUANIDINE NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-06-07 US disclosed