SCHEMBL19981176

SCHEMBL19981176

CC(C)(C)OC(=O)NCCCN(N)CC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
MAPT P10636 2/20 0.48
IDO1 P14902 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGM2 P21980 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL15893683 0.88 SYK (0.49) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL25376272 0.83 HTT (0.50) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL24897148 0.83 HTT (0.50) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL1455284 0.83 SYK (0.51) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL16789588 0.82 HTT (0.58) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL25463464 0.82 SYK (0.48) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL7431128 0.82 HTT (0.60) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL18429584 0.82 SYK (0.50) SYKMAPTIDO1HTTL3MBTL1
SCHEMBL4927806 0.81 HTT (0.51) SYKMAPTHTTL3MBTL1LMNA
SCHEMBL4924340 0.81 HTT (0.56) SYKMAPTIDO1HTTL3MBTL1

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
EP-2751141-B1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA SCIENCES SANTE ET HUMAINES S E C (CA) 2018-03-21 EP disclosed