SCHEMBL17545677

SCHEMBL17545677

CC(O)CCN(CCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
MAPT P10636 2/20 0.46
IDO1 P14902 1/20 0.46
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NTSR1 P30989 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL15716592 0.89 SYK (0.55) SYKMAPTIDO1CCR6PAX8
SCHEMBL25346745 0.87 CCR6 (0.52) SYKMAPTIDO1CCR6PAX8
SCHEMBL25970217 0.87 SYK (0.53) SYKMAPTIDO1CCR6PAX8
SCHEMBL1543294 0.86 SYK (0.48) SYKMAPTIDO1CCR6PAX8
SCHEMBL18241722 0.86 SYK (0.53) SYKMAPTKLK7KLK5CTSS
SCHEMBL12093506 0.86 SYK (0.49) SYKMAPTIDO1CCR6PAX8
SCHEMBL18251799 0.85 SYK (0.49) SYKMAPTIDO1CCR6PAX8
SCHEMBL8089817 0.85 SYK (0.48) SYKMAPTIDO1CCR6PAX8
SCHEMBL7419081 0.85 SYK (0.48) SYKMAPTIDO1CCR6PAX8
SCHEMBL2685379 0.84 SYK (0.50) SYKMAPTIDO1CCR6PAX8

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-2016020404-A1 PROCESS FOR THE RESOLUTION OF (R,S)-DIAZEPANE AND DIAZEPANONE DERIVATIVES SANDOZ AG (CH) 2016-02-11 WO disclosed