SCHEMBL8366200

SCHEMBL8366200

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.35
TSHR P16473 4/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
NFKB1 P19838 2/20 0.34
CYP2C19 P33261 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 3/20 0.33
CYP1A2 P05177 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL6118792 0.88 GSR (0.44) GSRTSHRBLMKMT2ANFKB1
SCHEMBL6130409 0.86
SCHEMBL13864508 0.80 GSR (0.59) GSR
SCHEMBL20704889 0.80 GSR (0.54) GSRTSHRBLMKMT2ANFKB1
SCHEMBL1398251 0.80 GSR (0.54) GSRTSHRBLMKMT2ANFKB1
SCHEMBL29120728 0.80 GSR (0.59) GSR
SCHEMBL28542603 0.80 KMT2A (0.45) GSRTSHRBLMKMT2ANFKB1
SCHEMBL17335980 0.78 BLM (0.50) GSRTSHRBLMKMT2ANFKB1
SCHEMBL4442128 0.78 GSR (0.57) GSRKMT2ASLC6A2SLC6A3MEN1
SCHEMBL10664837 0.78 TSHR (0.36) GSRTSHRBLMKMT2ANFKB1

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-0856015-B1 NEW POLYACRYLAMIDE MATRICES IN ELECTROPHORETIC AND CHROMATOGRAPHIC TECHNIQUES RIGHETTI PIER GIORGIO (IT) 1999-12-08 EP claimed