SCHEMBL7938432

SCHEMBL7938432

CC(C)(C)OC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NCC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.61
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
MAPT P10636 1/20 0.51
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTRA1 Q92743 1/20 0.47
HTT P42858 1/20 0.45
FOLH1 Q04609 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL7394135 0.82 FOLH1 (0.56) ABCB1HTTFOLH1
SCHEMBL14719975 0.82 MAPT (0.57) ABCB1MAPTKLK7KLK5HTT
SCHEMBL14719974 0.82 MAPT (0.57) ABCB1MAPTKLK7KLK5HTT
SCHEMBL8955505 0.81 KLK7 (0.64) ABCB1ITGB3ITGA2BMAPTKLK7
SCHEMBL14729274 0.79 ABCB1 (0.61) ABCB1ITGB3ITGA2BMAPTKLK7
SCHEMBL31114614 0.79 ABCB1 (0.61) ABCB1ITGB3ITGA2BMAPTKLK7
SCHEMBL14719981 0.79 MAPT (0.61) ABCB1ITGB3ITGA2BMAPTKLK7
SCHEMBL14719934 0.79 MAPT (0.61) ABCB1ITGB3ITGA2BMAPTKLK7
SCHEMBL12508122 0.79 MAPT (0.61) ABCB1ITGB3ITGA2BMAPTKLK7
SCHEMBL14719982 0.79 MAPT (0.61) ABCB1ITGB3ITGA2BMAPTKLK7

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