SCHEMBL28048925

SCHEMBL28048925

CCOC(=O)CC(=O)C(C)C.[Ti]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 2/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 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
SCHEMBL182126 0.98 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28048928 0.95 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28825664 0.95 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28048908 0.95 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24023251 0.87 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9290670 0.82 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6222514 0.82 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28217746 0.82 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15438002 0.80 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17720258 0.80 GAA (0.58) 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
CN-105190901-A Field effect transistor TORAY INDUSTRIES 2015-12-23 CN disclosed