SCHEMBL8617259

SCHEMBL8617259

CC=C(C(=O)OC)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCAT2 O15382 1/20 0.49
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29117664 0.95 SLC6A3 (0.46) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL28768175 0.87 GAA (0.47) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8617255 0.87 GAA (0.47) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8617249 0.87 GAA (0.47) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL10949032 0.82 BCAT2 (0.55) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL10949037 0.82 BCAT2 (0.55) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL9723735 0.77 NPC1 (0.45) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL5998811 0.77 NPC1 (0.45) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL2985717 0.77 LMNA (0.58) GAAMEN1KMT2ASMN1; SMN2HTT
SCHEMBL17755553 0.77 LMNA (0.58) GAAMEN1KMT2ASMN1; SMN2HTT

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
US-5719171-A INSECTICIDES; MITICIDES; NEMATOCIDES; FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5594020-A FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed