SCHEMBL3124609

SCHEMBL3124609

CCOC(=O)CN(CC1CCCCC1)C(=O)C(=O)c1c[nH]c2cc(OC)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TUBB1 Q9H4B7 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL3129608 0.92 MAPT (0.58) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3122360 0.89 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL3119104 0.89 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4310271 0.88 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL7948285 0.88 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7992745 0.88 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7945127 0.86 MAPT (0.57) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7992052 0.85 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7949180 0.85 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL7985731 0.85 MAPT (0.55) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed