SCHEMBL8950791

SCHEMBL8950791

NCCC(CC(=O)O)SSC(CCN)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.42
LMNA P02545 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.38
GLRA1 P23415 1/20 0.36
SLC6A9 P48067 1/20 0.36
OR51E2 Q9H255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35

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
SCHEMBL11566571 0.81 SLC22A6 (0.47) GABRR1LMNASLC22A6TDP1SMN1; SMN2
SCHEMBL11568977 0.77 FOLH1 (0.52) LMNASLC22A6GABRPGABRDCYP1A2
SCHEMBL7769376 0.72
SCHEMBL289100 0.72
SCHEMBL29952120 0.72
SCHEMBL25297691 0.72 GABRR1 (0.44) GABRR1LMNASLC22A6GLRA1SLC6A9
SCHEMBL415749 0.72
SCHEMBL9619279 0.72 GABRR1 (0.44) GABRR1LMNASLC22A6GLRA1SLC6A9
SCHEMBL382930 0.72
SCHEMBL9578146 0.72 SLC22A6 (0.39) GABRR1LMNASLC22A6TDP1SMN1; SMN2

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
US-5532379-A Biotin containing heterobifunctional cleavable compounds PIERCE CHEMICAL COMPANY (US) 1996-07-02 US disclosed