SCHEMBL2648920

SCHEMBL2648920

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
PRMT5 O14744 2/20 0.46
NMT1 P30419 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL2647297 0.87 LMNA (0.44) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2649451 0.87 LMNA (0.44) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL8949567 0.86 MAPT (0.69) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2648334 0.82 PTGER1 (0.45) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL9269271 0.82 GCGR (0.57) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL9265076 0.79 GCGR (0.56) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL2648212 0.78 GCGR (0.62) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2648000 0.77 MEN1 (0.43) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2647997 0.77 MEN1 (0.43) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1
SCHEMBL2650419 0.77 PPIA (0.41) LMNAL3MBTL1SMN1; SMN2GAAALDH1A1

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
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed