SCHEMBL8046834

SCHEMBL8046834

CCCCOC(=O)CCC(C)C(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
DGKA P23743 1/20 0.46
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 2/20 0.39
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL28143492 0.88 DGKA (0.50) DGKANAAAHTR2CALDH1A1MAPT
SCHEMBL18915710 0.86 DGKA (0.42) LMNADGKANAAAHTR2CALDH1A1
SCHEMBL8268189 0.85 DGKA (0.47) DGKANAAAHTR2CALDH1A1MAPT
SCHEMBL29761942 0.82 LMNA (0.63) LMNADGKANAAAHTR2CALDH1A1
SCHEMBL11329144 0.82 MAPT (0.53) LMNADGKANAAAHTR2CALDH1A1
SCHEMBL14712672 0.81 NAAA (0.56) LMNADGKANAAAHTR2CALDH1A1
SCHEMBL29094046 0.81 LMNA (0.72) LMNADGKANAAAALDH1A1MAPT
SCHEMBL29779779 0.81 LMNA (0.61) LMNADGKANAAAHTR2CALDH1A1
SCHEMBL127529 0.80 DGKA (0.53) LMNADGKANAAAHTR2CALDH1A1
SCHEMBL7933773 0.80 LMNA (0.48) LMNAALDH1A1MAPTTSHR

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-6077953-A INTERMEDIATES TO PRODUCE PYRIDAZIN-3-ONE COMPOUNDS WHICH ARE HERBICIDAL COMPOUNDS. SUMITOMO CHEMICAL CO., LTD. (JP) 2000-06-20 US disclosed