SCHEMBL5015698

SCHEMBL5015698

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
CTSK P43235 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
DAGLA Q9Y4D2 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SCN9A Q15858 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
SCHEMBL5015677 0.93 FPR2 (0.40) FPR2CTSKMEN1KMT2ALMNA
SCHEMBL5015696 0.79 MAPT (0.56) MEN1KMT2ALMNATSHRMAPT
SCHEMBL5058970 0.76 KEAP1 (0.38) CTSKMEN1KMT2ALMNATSHR
SCHEMBL5014193 0.72 CTSK (0.37) CTSKMAPT
SCHEMBL5015675 0.71 MAPT (0.59) MEN1KMT2ALMNATSHRMAPT
SCHEMBL5014183 0.69 SLC6A2 (0.46) CTSKMEN1KMT2ALMNATSHR
SCHEMBL1706602 0.69 FPR2 (0.60) FPR2MEN1KMT2ALMNATSHR
SCHEMBL7735821 0.68 MAPT (0.47) CTSKMEN1KMT2ALMNATSHR
SCHEMBL2554277 0.68 HTT (0.49) MEN1KMT2ALMNATSHRHPGD
SCHEMBL1196722 0.67 ACE (0.45) CTSKSLC6A2SLC6A4SLC6A3

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