SCHEMBL27617569

SCHEMBL27617569

CCOC(=O)CC(=O)C(C)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17720258 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2003743 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28149561 0.81 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5141925 0.81 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9482820 0.81 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28152713 0.80 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2905279 0.80 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12291612 0.79 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL182126 0.79 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28825664 0.77 GAA (0.61) 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-1690039-A Diester compound for preparing olefinic polymerization catalyst SINOPEC CORP (CN) 2005-11-02 CN disclosed