SCHEMBL1361380

SCHEMBL1361380

CCCCO[Al].CCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
FAAH O00519 1/20 0.38
ATM Q13315 2/20 0.37
TRPA1 O75762 1/20 0.36
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 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
SCHEMBL21753733 0.87 MGAM (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1361916 0.85 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid Butyl Ester SCHEMBL29539673 0.84 ALDH1A1 (0.67) GAAMGAMSIMGAM2ALDH1A1
Butyl Alcohol SCHEMBL2561985 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27734875 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL431559 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL487722 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL427688 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL453161 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Butyl Alcohol SCHEMBL27568261 0.81 GAA (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067508-B2 Compositions consisting of partially silyl-terminated polymers HENKEL AG & CO. KGAA (DE) 2011-11-29 US disclosed
US-20100081757-A1 COMPOSITIONS CONSISTING OF PARTIALLY SILYL-TERMINATED POLYMERS HENKEL AG & CO. KGAA (DE) 2010-04-01 US disclosed