SCHEMBL3137659

SCHEMBL3137659

CC(=O)OCC(CC(=O)O)(OC(C)=O)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM1 P11229 2/20 0.34
TBXA2R P21731 2/20 0.34
HMGCR P04035 1/20 0.34
ADRA1A P35348 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL27944153 0.84 HMGCR (0.42) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL11751035 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL12916903 0.75 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL20054129 0.74 KDM4E (0.46) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL2963340 0.73 HMGCR (0.46) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL13548866 0.70 GAA (0.46) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL1948636 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
SCHEMBL11523073 0.70 GAA (0.46) ALDH1A1LMNAHSD17B10CHRM1TBXA2R
T-Butylacetic Acid SCHEMBL15106943 0.70 HMGCR (0.42) ALDH1A1CHRM1TBXA2RHMGCRADRA1A
SCHEMBL12459690 0.69 GAA (0.44) ALDH1A1LMNAHSD17B10CHRM1TBXA2R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017009310-A1 POLYURETHANE HOT-MELT ADHESIVE CONTAINING DIALDIMINES AND HAVING IMPROVED ADHESION TO STAINLESS STEEL SIKA TECHNOLOGY AG (CH) 2017-01-19 WO disclosed
EP-1990387-B1 Composite layer body joined with polyurethane holt melt glue and method for gluing plastics containing dilutents SIKA TECHNOLOGY AG (CH) 2010-07-21 EP disclosed
EP-1923445-B1 Polyaldimine containing moisture curable hotmelt adhesive composition SIKA TECHNOLOGY AG (CH) 2009-06-24 EP disclosed
EP-1990387-A1 Composite layer body joined with polyurethane holt melt glue and method for gluing plastics containing dilutents Sika Technology AG (CH) 2008-11-12 EP disclosed
WO-2008059056-A1 MOISTURE-CURING HOT-MELT ADHESIVE COMPOUND CONTAINING POLYALDIMINE SIKA TECHNOLOGY AG (CH) 2008-05-22 WO disclosed
EP-1923445-A1 Polyaldimine containing moisture curable hotmelt adhesive composition Sika Technology AG (CH) 2008-05-21 EP disclosed