SCHEMBL4612804

SCHEMBL4612804

COC(=O)/C=C(/CC(=O)OC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
TSHR P16473 4/20 0.42
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.37
POLA1 P09884 1/20 0.37
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4612805 1.00 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL26290907 1.00 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL5806797 0.83 HCAR2 (0.43) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL6439242 0.83 HCAR2 (0.43) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL5806800 0.83 HCAR2 (0.43) TSHRHCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL11125039 0.80 MGAM (0.35) MGAMGAASIMGAM2TSHR
SCHEMBL8104032 0.78 MGAM (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL6732240 0.78 MGAM (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL8226112 0.78 MGAM (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL996820 0.78 MGAM (0.34) MGAMGAASIMGAM2TSHR

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-1615871-B1 PROCESS FOR THE PREPARATION OF DIALKYL 3-OXOGLUTARATES EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2008-10-29 EP disclosed
EP-1615871-A2 PROCESS FOR THE PREPARATION OF DIALKYL 3-OXOGLUTARATES EGIS GYOGYSZERGYAR RT. (HU) 2006-01-18 EP disclosed
WO-2004089867-A2 PROCESS FOR THE PREPARATION OF DIALKYL 3-OXOGLUTARATES EGIS Gyógyszergyár Rt. (HU) 2004-10-21 WO disclosed