SCHEMBL28072502

SCHEMBL28072502

NCC(=O)NC(=O)/C=C/CO

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9397488 0.83 GLRA1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL11340090 0.75 GABRR1 (0.31) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL1674927 0.75
SCHEMBL9434734 0.74 TSHR (0.43) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL28103576 0.74 LMNA (0.31) LMNA
SCHEMBL9434744 0.74 TSHR (0.43) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL9227811 0.74 MAPT (0.37) LMNANPSR1
SCHEMBL7628488 0.73
SCHEMBL489998 0.71
SCHEMBL11233473 0.71 CRBN (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105823829-A Detection method of N-(1-oxo-4-hydroxy-2-butenyl)aminoacetamide 哈尔滨三联药业股份有限公司 2016-08-03 CN claimed
CN-105820062-A N-(1-oxo-4-hydroxy-2-butenyl)aminoacetamide compound and preparation method and application thereof 哈尔滨三联药业股份有限公司 2016-08-03 CN disclosed
CN-105823829-A Detection method of N-(1-oxo-4-hydroxy-2-butenyl)aminoacetamide 哈尔滨三联药业股份有限公司 2016-08-03 CN disclosed