SCHEMBL7946077

SCHEMBL7946077

COc1ccc2c(c1)NCC2C(=O)C(=O)N(CC(=O)N(C(C)C)C(C)C)CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.34
PTGES O14684 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP3 P08254 2/20 0.33
SLC6A9 P48067 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NAMPT P43490 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7938360 0.91 POLB (0.36) POLBEPHX2PTGESTAS2R14SLC2A1
SCHEMBL7945107 0.90 POLB (0.36) POLBEPHX2PTGESTAS2R14SLC2A1
SCHEMBL7947094 0.89 POLB (0.37) POLBEPHX2ALDH1A1MAPTMMP3
SCHEMBL7947164 0.88 PLA2G2A (0.37) POLBEPHX2PTGESTAS2R14SLC2A1
SCHEMBL7948016 0.86 POLB (0.38) POLBEPHX2ALDH1A1MAPTL3MBTL1
SCHEMBL7986761 0.86 HTT (0.36) POLBALDH1A1MAPTL3MBTL1HTT
SCHEMBL7946743 0.85 MITF (0.45) POLBEPHX2ALDH1A1MAPTL3MBTL1
SCHEMBL7947285 0.85 HPGD (0.36) POLBALDH1A1L3MBTL1MMP3MMP1
SCHEMBL7969073 0.85 MTNR1B (0.35) POLBALDH1A1PTGDR2MEN1KMT2A
SCHEMBL7951886 0.85 MITF (0.45) POLBEPHX2ALDH1A1MAPTL3MBTL1

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
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed