SCHEMBL11429024

SCHEMBL11429024

CCOC(=O)COC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 3/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 2/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL12046310 0.87 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3841888 0.84 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2148474 0.80 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28367591 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28885641 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11798942 0.80 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3248904 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11797072 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7432060 0.78 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10837934 0.77 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1

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-4228300-A Polycarboxylate ethers MONSANTO COMPANY (US) 1980-10-14 US disclosed