SCHEMBL7549980

SCHEMBL7549980

CCOC(=O)Oc1ncc(C)nc1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SOAT1 P35610 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
SLC13A5 Q86YT5 1/20 0.33
KMT2A Q03164 2/20 0.33
CA2 P00918 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7542788 0.89 SLC13A5 (0.35) ALDH1A1KDM4EGLANPC1MAPT
SCHEMBL7542068 0.89 ALOX5 (0.39) ALOX5ALDH1A1SOAT1KDM4EGLA
SCHEMBL7543546 0.84 ALOX15 (0.35) ALDH1A1KDM4EGLACYP1A2MAPT
SCHEMBL7541370 0.75 ALDH1A1 (0.44) ALDH1A1KDM4ECYP1A2NPC1MAPT
SCHEMBL7547389 0.73 KDM4E (0.41) ALDH1A1KDM4ECYP1A2NPC1MAPT
SCHEMBL7540966 0.73 CCR4 (0.36) ALDH1A1KDM4ECYP1A2MAPTSLC13A5
SCHEMBL16852121 0.72 ALDH1A1 (0.39) ALOX5ALDH1A1SOAT1KDM4ECYP1A2
SCHEMBL7542145 0.72 PARP10 (0.39) ALDH1A1KDM4ECYP1A2MAPTSMN1; SMN2
SCHEMBL28695215 0.71 GRM5 (0.36) ALDH1A1NPC1MAPTKMT2AL3MBTL1
SCHEMBL12409948 0.71 GRM5 (0.36) ALDH1A1KDM4ENPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP claimed
EP-0889038-A1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 1999-01-07 EP claimed
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP disclosed
EP-0889038-A1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 1999-01-07 EP disclosed