SCHEMBL7947322

SCHEMBL7947322

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SLC6A9 P48067 5/20 0.39
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 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
SCHEMBL7979068 0.89 PDE2A (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7951889 0.84 KMT2A (0.41) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7985982 0.84 KMT2A (0.40) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL7945535 0.82 KDM4E (0.41) ALDH1A1KDM4ETSHRMAPTNPSR1
SCHEMBL7938770 0.82 L3MBTL1 (0.38) ALDH1A1L3MBTL1
SCHEMBL7948614 0.80 POLB (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7982554 0.80 SLC6A9 (0.40) SLC6A9
SCHEMBL7946774 0.79 SLC6A9 (0.35) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7947164 0.78 PLA2G2A (0.37) ALDH1A1MAPTL3MBTL1PTGDR2POLB
SCHEMBL7938360 0.77 POLB (0.36) ALDH1A1MAPTL3MBTL1PTGDR2SLC6A9

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
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