SCHEMBL7654928

SCHEMBL7654928

OCC(CO)OCc1cccc(COC(CO)CO)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
LMNA P02545 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ADORA2A P29274 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL7104601 0.81 FYN (0.30)
SCHEMBL536785 0.75 KCNH2 (0.40) KCNH2PGK1PGK2HRH4LMNA
SCHEMBL4055024 0.75 ADORA2A (0.42) KCNH2PGK1PGK2HRH4LMNA
SCHEMBL7106209 0.74 KCNJ5 (0.31) KCNJ5KCNJ3
SCHEMBL14508065 0.74 KCNH2 (0.47) KCNH2PGK1PGK2HRH4LMNA
SCHEMBL7662403 0.72 KCNH2 (0.41) KCNH2PGK1PGK2HRH4LMNA
SCHEMBL16587856 0.71 MEN1 (0.38) KCNH2
SCHEMBL7654854 0.71 CYP1A2 (0.44) KCNH2PGK1PGK2LMNAKCNJ5
SCHEMBL227684 0.70 TSHR (0.48) LMNA
SCHEMBL7661217 0.69 KCNH2 (0.39) KCNH2PGK1PGK2HRH4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 US disclosed