SCHEMBL8617249

SCHEMBL8617249

CO/C=C(\C(=O)OC)c1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCAT2 O15382 1/20 0.46
SLC6A3 Q01959 3/20 0.45
SLC6A4 P31645 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 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
SCHEMBL8617255 1.00 GAA (0.47) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL28768175 1.00 GAA (0.47) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL28474385 0.87 MEN1 (0.49) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL8617259 0.87 GAA (0.49) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL28717912 0.86 GAA (0.44) GAAPOLBSLC6A3SLC6A4KDM4E
SCHEMBL29117664 0.83 SLC6A3 (0.46) GAAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL9145577 0.81 NPC1 (0.45) SMN1; SMN2
SCHEMBL9145582 0.81 NPC1 (0.45) SMN1; SMN2
SCHEMBL5998808 0.79 NPC1 (0.43) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1223761 0.79 LMNA (0.55) GAASMN1; SMN2KDM4E

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