SCHEMBL19227352

SCHEMBL19227352

CC(C)C(=N)C(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
MAPK1 P28482 1/20 0.32
BLM P54132 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL3083053 0.77
SCHEMBL177800 0.75
SCHEMBL3076740 0.74
Isobutyramide SCHEMBL3323 0.71
Isobutyramide SCHEMBL11109750 0.71 LMNA (0.46) BLMLMNAALOX15PMP22
SCHEMBL16280519 0.71 LMNA (0.33) BLMLMNAALOX15PMP22
SCHEMBL6943656 0.71
SCHEMBL6944951 0.71
SCHEMBL14615805 0.69 LMNA (0.38) BLMLMNAALOX15PMP22
SCHEMBL28343934 0.69 LMNA (0.32) BLMLMNAALOX15PMP22

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-2738190-B1 AMPHIPHILIC MACROMOLECULE AND USE BEIJING JUNLUN RUNZHONG SCIENCE&TECHNOLOGY CO LTD (CN) 2017-08-09 EP disclosed