SCHEMBL5015696

SCHEMBL5015696

COC(=O)c1coc(C(CCCCNC(=O)OCc2ccccc2Cl)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
KLK7 P49862 2/20 0.39
KLK5 Q9Y337 2/20 0.39
GHSR Q92847 1/20 0.39
C3AR1 Q16581 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL5015675 0.93 MAPT (0.59) MAPTKEAP1NFE2L2MEN1KMT2A
SCHEMBL10045813 0.85 MAPT (0.67) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL10045816 0.80 MAPT (0.59) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL5062951 0.80 MAPT (0.49) MAPTMEN1KMT2AC3AR1ALDH1A1
SCHEMBL5015698 0.79 FPR2 (0.40) MAPTKEAP1NFE2L2MEN1KMT2A
SCHEMBL10045817 0.79 MAPT (0.59) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL10045814 0.78 MAPT (0.69) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL5054328 0.78 KMT2A (0.46) MAPTKEAP1NFE2L2KMT2AGHSR
SCHEMBL7735821 0.77 MAPT (0.47) MAPTMEN1KMT2AC3AR1ALDH1A1
SCHEMBL10045815 0.77 MAPT (0.56) MAPTMEN1KMT2AKLK7KLK5

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-2008009942-A1 HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-01-24 WO disclosed