SCHEMBL28097115

SCHEMBL28097115

CCOC(=O)CCO.COCCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
TSHR P16473 3/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL15902482 0.92 GAA (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL107227 0.86
SCHEMBL28182128 0.85 GAA (0.50) GAAMGAMSIMGAM2TSHR
Ethyl Propionate SCHEMBL21647321 0.85 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL20022345 0.82 TSHR (0.52) GAAMGAMSIMGAM2TSHR
SCHEMBL6403 0.82
SCHEMBL30800905 0.82 GAA (0.65) GAAMGAMSIMGAM2TSHR
Ethyl Acetate SCHEMBL28188604 0.81 ALDH1A1 (0.56) GAAMGAMSIMGAM2TSHR
Acetic Acid Methyl Ester SCHEMBL3506461 0.80 GAA (0.58) GAAMGAMSIMGAM2TSHR
Hydrochloric Acid SCHEMBL2655390 0.80

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-106057660-A Method for manufacturing semiconductor substrate 东京应化工业株式会社 2016-10-26 CN disclosed