SCHEMBL7708374

SCHEMBL7708374

CC(=O)CC(=O)OCCC(CO)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
FAAH O00519 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
SCHEMBL20956274 0.79 NAAA (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL649818 0.79 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL9571839 0.79 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL16411252 0.79 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL11434419 0.79 MGAM (0.46) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3683181 0.79 ALDH1A1 (0.44) GAAKDM4EPKMALDH1A1TP53
SCHEMBL4682825 0.79 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL542103 0.79 ADRA2A (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2701579 0.78 GAA (0.60) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25178944 0.78 GAA (0.44) MGAMGAASIMGAM2ALDH1A1

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
US-6355713-B1 THERMOPLASTIC RESINS ARE STABILIZED WITH B-ENAMINES OR DERIVATIVES OF ALCOHOLS,SUGARS, SUGAR ALCOHOLS, GLYCOSIDES AND OLIGOSACCHARIDES; DISCOLORATION INHIBITION AKCROS, CHEMICALS (GB) 2002-03-12 US disclosed
EP-0986605-A1 BETA-KETOESTERS FOR USE AS POLYMER STABILISERS AKCROS CHEMICALS (GB) 2000-03-22 EP disclosed
WO-1998054246-A1 β-KETOESTERS FOR USE AS POLYMER STABILISERS AKCROS CHEMICALS (GB) 1998-12-03 WO disclosed