E968

E968

SCHEMBL9858617

O=C(O)CS.O=C(O)CS.O=C(O)CS.O=C(O)CS.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 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
OR51E2 Q9H255 1/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ANPEP P15144 2/20 0.32
ENPEP Q07075 2/20 0.32
FOLH1 Q04609 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32

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 SCHEMBL28445480 1.00 PDE4A (0.44) PDE4AOR51E2LMNAUSP2SLCO1B1
E968 SCHEMBL10703757 1.00 PDE4A (0.44) PDE4AOR51E2LMNAUSP2SLCO1B1
Mannitol SCHEMBL28437582 0.89 PDE4A (0.58) PDE4AOR51E2LMNAUSP2SLCO1B1
Adonitol SCHEMBL28440151 0.89 PDE4A (0.52) PDE4AOR51E2LMNAUSP2SLCO1B1
E968 SCHEMBL23467010 0.88 PDE4A (0.37) PDE4AOR51E2LMNAUSP2SLCO1B1
Thioglycolic Acid SCHEMBL27947118 0.85 OR51E2 (0.43) PDE4AOR51E2LMNAUSP2SLCO1B1
Dithioerythriol SCHEMBL9109286 0.83 PDE4A (0.37) PDE4AOR51E2LMNAUSP2SLCO1B1
Dithioerythriol SCHEMBL7523387 0.83 PDE4A (0.37) PDE4AOR51E2LMNAUSP2SLCO1B1
Glycerin SCHEMBL97353 0.82 LMNA (0.53) PDE4AOR51E2LMNASLC22A6SMN1; SMN2
Glycerin SCHEMBL560044 0.82 LMNA (0.53) PDE4AOR51E2LMNASLC22A6SMN1; SMN2

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-0422836-A2 Resin for urethane lenses, lenses comprising the resin, and a process for preparation of the resin and the lenses MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-04-17 EP disclosed