E968

E968

SCHEMBL9832239

CCC(=O)Oc1ccccc1O.OC[C@@H](O)[C@@H](O)CO.OC[C@@H](O)[C@@H](O)CO.OC[C@@H](O)[C@@H](O)CO.OC[C@@H](O)[C@@H](O)CO.OC[C@@H](O)[C@@H](O)CO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
JAK2 O60674 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 2/20 0.38
HIF1A Q16665 2/20 0.38
RECQL P46063 2/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 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
E968 SCHEMBL11207505 1.00 GAA (0.42) GAAJAK2LMNAMAPTELANE
Pentachlorophenol SCHEMBL9832236 0.90 GAA (0.35) GAAJAK2LMNAMAPTELANE
SCHEMBL361508 0.90 GAA (0.50) GAAJAK2LMNAMAPTELANE
Methane SCHEMBL10713153 0.88 GAA (0.48) GAAJAK2LMNAMAPTELANE
SCHEMBL9008288 0.84 GAA (0.42) GAAJAK2LMNAMAPTELANE
SCHEMBL8435546 0.78 ALOX15 (0.55) MAPTELANEKMT2AALOX15ALDH1A1
SCHEMBL67780 0.78 ALOX15 (0.50) LMNAMAPTELANECA1CA2
SCHEMBL27627543 0.77 ACLY (0.43) GAAJAK2LMNAMAPTELANE
SCHEMBL4641369 0.77 GAA (0.52) GAAJAK2LMNAMAPTCA1
SCHEMBL28272267 0.77 GAA (0.44) GAAJAK2LMNAMAPTCA1

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
EP-0217149-B1 POLY(2,2,6,6-TETRAMETHYLPIPERIDYLAMINOSPIROGLYCOLETHER-1,3,5-TRIAZINES) ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1991-01-30 EP disclosed