SCHEMBL28044486

SCHEMBL28044486

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 5/20 0.40
KDM2A Q9Y2K7 5/20 0.40
KDM7A Q6ZMT4 2/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3207325 0.81 PHF8 (0.43) PHF8KDM2AKDM7AGABRPGABRD
SCHEMBL3664157 0.77 GABRP (0.48) PHF8KDM2AKDM7AGABRPGABRD
SCHEMBL13324863 0.76 PHF8 (0.39) PHF8KDM2AKDM7AGABRPGABRD
SCHEMBL20254227 0.76 ALDH1A1 (0.41) PHF8KDM2AKDM7AGABRPGABRD
SCHEMBL23699788 0.74
SCHEMBL27000072 0.71 KDM4C (0.38) PHF8KDM2AKDM7AGABRPGABRD
Succinic Acid SCHEMBL1131544 0.70 EGLN1 (0.50) PHF8KDM2AKDM7AGABRPGABRD
Succinic Acid SCHEMBL11651200 0.70 EGLN1 (0.50) PHF8KDM2AKDM7AGABRPGABRD
SCHEMBL11304864 0.70 FDPS (0.42) PHF8KDM2AKDM7AKDM4CKDM4A
SCHEMBL4272707 0.70 FOLH1 (0.39) PHF8KDM2AKDM7ACYP1A2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085292-A Amphiphilic derivative of 3-((2-dimethylamino)ethyl(methyl)amino)propionic acid, and use thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN disclosed
CN-105085292-A Amphiphilic derivative of 3-((2-dimethylamino)ethyl(methyl)amino)propionic acid, and use thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN disclosed