SCHEMBL26570652

SCHEMBL26570652

CCOCCNC(C)CC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 3/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 5/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPA1 O75762 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL3209626 0.82 GAA (0.45) MGAMGAASIMGAM2TSHR
Hydrochloric Acid SCHEMBL10499779 0.81 GAA (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL26570649 0.81 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27351134 0.79 GAA (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL10124278 0.78 GAA (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL27346782 0.77 MEN1 (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL11119791 0.77 TSHR (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL14577294 0.77 GAA (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL11119801 0.77 TSHR (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL16077524 0.75 L3MBTL1 (0.41) MGAMGAASIMGAM2TSHR

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-20230321591-A1 Beta-Amino Carboxylate (BAC) Solvents for Enhanced CO2 Separations BATTELLE MEMORIAL INSTITUTE 2023-10-12 US disclosed
US-20230321591-A1 Beta-Amino Carboxylate (BAC) Solvents for Enhanced CO2 Separations BATTELLE MEMORIAL INSTITUTE 2023-10-12 US disclosed