SCHEMBL567494

SCHEMBL567494

O=C(CC[C@@H]1OC(=O)COC1=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.40
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
CDC25B P30305 1/20 0.38
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL567024 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL3978073 0.93 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL3976930 0.91 EPHX2 (0.43) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL567327 0.87 GLA (0.47) ALDH1A1MAPK1L3MBTL1GLAUSP2
SCHEMBL536617 0.87 GLA (0.47) ALDH1A1MAPK1L3MBTL1GLAUSP2
SCHEMBL12537282 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL9886344 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL13843600 0.80 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL567608 0.79 HTT (0.51) LMNAKMT2A
SCHEMBL567366 0.79 HTT (0.51) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US claimed
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
WO-2010100390-A1 CATALYTIC POLYMERIZATION METHOD FOR 1,4-DIOXANE-2,5-DIONES, AND CORRESPONDING POLYMERS MINASOLVE (FR) 2010-09-10 WO disclosed