SCHEMBL2656239

SCHEMBL2656239

CC(C)(C)OC(=O)Nc1cnc(OCCCOCc2ccccc2OCc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
PPARA Q07869 1/20 0.38
GRIN2B Q13224 1/20 0.38
BRD4 O60885 1/20 0.38
CXCR2 P25025 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
SYK P43405 1/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36

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
SCHEMBL13033293 0.86 PPARA (0.46) PTGER1CYP2C9L3MBTL1PPARAGRIN2B
SCHEMBL25257191 0.76 SYK (0.42) PTGER1CYP2C9L3MBTL1SYKMEN1
SCHEMBL2644395 0.75 PPARA (0.48) PTGER1CYP2C9L3MBTL1PPARAGRIN2B
SCHEMBL10515590 0.75 PTGER1 (0.54) PTGER1CYP2C9PPARAGRIN2BBRD4
SCHEMBL5089580 0.74 PPARA (0.46) L3MBTL1PPARABCHECNR2
SCHEMBL2644832 0.74 HTR1A (0.44) L3MBTL1MEN1KMT2A
SCHEMBL32665616 0.73 PTGER1 (0.46) PTGER1CYP2C9L3MBTL1PPARABRD4
SCHEMBL2645197 0.72 GSK3B (0.38) GRIN2BSYK
SCHEMBL3512263 0.71 CXCR2 (0.42) CXCR2SGMS2MEN1PABPC1KMT2A
SCHEMBL12579812 0.71 GCK (0.46) PTGER1CYP2C9GRIN2BMEN1PABPC1

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
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO disclosed