SCHEMBL11720316

SCHEMBL11720316

CCC=C(C(C)=O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CES1 P23141 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.31
EP300 Q09472 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FFAR3 O14843 1/20 0.30
CA4 P22748 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
SCHEMBL1977291 0.86 EP300 (0.41) GLO1ALDH1A1TDP1TSHRTHPO
SCHEMBL9397758 0.80 GLO1 (0.43) GLO1ALDH1A1LMNA
SCHEMBL9397761 0.80 GLO1 (0.43) GLO1ALDH1A1LMNA
SCHEMBL4147579 0.78 GLO1 (0.69) GLO1ALDH1A1TDP1MAPK1KDM4E
SCHEMBL17950855 0.78 GLO1 (0.33) GLO1
SCHEMBL4147576 0.78 GLO1 (0.69) GLO1ALDH1A1TDP1MAPK1KDM4E
SCHEMBL11722149 0.77 EP300 (0.43) GLO1ALDH1A1TDP1TSHRTHPO
SCHEMBL18951736 0.77 CYP2C9 (0.34) GLO1
SCHEMBL190066 0.75 EP300 (0.52) ALDH1A1TDP1GRIK1GRIK2MAPK1
SCHEMBL14712303 0.75

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
US-4025537-A Preparation of 3-carboalkoxy or 3-alkanoyl furans KRETCHMER RICHARD ALLAN 1977-05-24 US disclosed