SCHEMBL11178486

SCHEMBL11178486

CC(=O)CCC(=O)COC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
LMNA P02545 2/20 0.42
SLC15A2 Q16348 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 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
SCHEMBL11176308 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL12232362 0.83 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10KDM4EKDM6B
SCHEMBL311876 0.81 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL5746936 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL13576813 0.79 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2HSD17B10KDM4E
SCHEMBL25518086 0.79 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL7948512 0.79 ALDH1A1 (0.56) ALDH1A1LMNASLC15A2KDM4EKDM6B
SCHEMBL10666955 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10SMN1; SMN2PGR
SCHEMBL5171320 0.77 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10KDM4EKDM6B
SCHEMBL12421785 0.77 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2KDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732935-B1 LANTHANIDE CHELATES AND USE THEREOF IN BIOANALYSIS SENSIENT IMAGING TECHNOLOGIES (DE) 2007-12-12 EP disclosed
WO-2007134117-A2 DETECTING SINGLE AMINO ACID POLYMORPHISMS BY ISOTOPIC LABELING AND MASS SPECTROMETRY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2007-11-22 WO disclosed
US-4384144-A Process for preparing cyclopentenone derivatives OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-05-17 US disclosed