SCHEMBL2649451

SCHEMBL2649451

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
PPARG P37231 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRMT5 O14744 2/20 0.39
SLC10A2 Q12908 1/20 0.39
NMT1 P30419 1/20 0.39
DGAT1 O75907 1/20 0.38

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 1.00 LMNA (0.44) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL2648000 0.91 MEN1 (0.43) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL2647997 0.91 MEN1 (0.43) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL2648214 0.89 MAPT (0.48) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL2648215 0.89 MAPT (0.48) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL2648920 0.87 LMNA (0.54) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL2649455 0.86 SLC10A2 (0.43) LMNAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2650698 0.86 SLC10A2 (0.43) LMNAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2647466 0.85 SLC10A2 (0.44) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL2647468 0.85 SLC10A2 (0.44) LMNAMEN1KMT2AALDH1A1GAA

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