SCHEMBL7574869

SCHEMBL7574869

NCC/C(C(=O)O)=C(/CCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.43
LMNA P02545 4/20 0.43
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
HDAC3 O15379 1/20 0.43
GABBR2 O75899 1/20 0.43
CYP1A2 P05177 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRR2 P28476 1/20 0.43
SLC6A1 P30531 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL7574886 1.00 GABRR1 (0.43) GABRR1LMNABLMKMT2ATHRB
SCHEMBL724564 0.83 GRIK1 (0.46) GABRR1LMNABLMKMT2ATHRB
Chloromethane SCHEMBL203881 0.79 GRIK1 (0.43) GABRR1LMNABLMKMT2ATHRB
SCHEMBL4592350 0.79 GRIK1 (0.50) GABRR1LMNABLMKMT2ATHRB
SCHEMBL6666047 0.79 GABRR1 (0.39) GABRR1LMNABLMKMT2ATHRB
SCHEMBL2049005 0.73
Beta-Alanine SCHEMBL27438317 0.73 LMNA (0.58) GABRR1LMNABLMKMT2ATHRB
Beta-Alanine SCHEMBL21500 0.72
Beta-Alanine SCHEMBL18281085 0.72
Beta-Alanine SCHEMBL29449904 0.72

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
EP-0906351-B1 PHOTOPOLYMERIZABLE POLYESTER COMPOSITION AND PROCESS FOR THE PRODUCTION THEREOF EASTMAN CHEMICAL SWEDEN AB (SE) 2002-09-04 EP disclosed
EP-0906351-A1 PHOTOPOLYMERIZABLE POLYESTER COMPOSITION AND PROCESS FOR THE PRODUCTION THEREOF McWhorter Technologies AB (SE) 1999-04-07 EP disclosed
WO-1997048744-A1 PHOTOPOLYMERIZABLE POLYESTER COMPOSITION AND PROCESS FOR THE PRODUCTION THEREOF MCWHORTER TECHNOLOGIES AB (SE) 1997-12-24 WO disclosed