SCHEMBL2647828

SCHEMBL2647828

CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APAF1 O14727 1/20 0.44
MITF O75030 1/20 0.44
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
THRB P10828 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
GALK1 P51570 1/20 0.43
BLM P54132 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL2648375 0.81 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL8949567 0.81 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2649449 0.79 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2648334 0.79 PTGER1 (0.45) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2662913 0.76 GCGR (0.65)
SCHEMBL2648932 0.74 GCGR (0.48) MAPTALDH1A1L3MBTL1
SCHEMBL2648212 0.74 GCGR (0.62) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2648110 0.73 LDHA (0.40) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2648908 0.73 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2648905 0.73 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2RAB9A

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