SCHEMBL5058970

SCHEMBL5058970

COC(=O)C1COC(CCCCC(NC(=O)OCc2ccccc2Cl)NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
CTSK P43235 2/20 0.36
SCN9A Q15858 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KLK7 P49862 2/20 0.35

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
SCHEMBL5058959 0.80 MAPT (0.51) KEAP1NFE2L2MAPTMEN1KMT2A
SCHEMBL5015698 0.76 FPR2 (0.40) KEAP1NFE2L2CTSKSCN9ACYP1A2
SCHEMBL5015677 0.75 FPR2 (0.40) KEAP1NFE2L2CTSKSCN9ACYP1A2
SCHEMBL5014111 0.70 CTSS (0.43) CTSKHPGDMAPTMEN1KMT2A
SCHEMBL10045812 0.68 MAPT (0.60) MAPTMEN1KMT2AKLK7KLK5
SCHEMBL14744109 0.68 HTT (0.43) MAPTMEN1KMT2ALMNA
SCHEMBL14737595 0.68 HTT (0.43) MAPTMEN1KMT2ALMNA
SCHEMBL7893434 0.66 MAPT (0.53) KEAP1NFE2L2MAPTKLK7KLK5
SCHEMBL6129649 0.66 TGM2 (0.55) KEAP1NFE2L2CYP1A2CYP3A4CYP2D6
SCHEMBL7759126 0.66 MAPT (0.53) KEAP1NFE2L2MAPTKLK7KLK5

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