SCHEMBL3825339

SCHEMBL3825339

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1cc(O)c(C)c(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
BACE1 P56817 2/20 0.51
MAOB P27338 6/20 0.51
APP P05067 5/20 0.51
COPS5 Q92905 1/20 0.49
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
OSBP P22059 1/20 0.43

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
SCHEMBL3825335 1.00 PTPN1 (0.51) PTPN1BACE1MAOBAPPCOPS5
SCHEMBL30508969 0.88 BACE1 (0.58) PTPN1BACE1MAOBAPPKMT2A
SCHEMBL30777317 0.88 BACE1 (0.58) PTPN1BACE1MAOBAPPKMT2A
SCHEMBL12281883 0.87 ALOX15 (0.53) PTPN1BACE1MAOBAPPCOPS5
SCHEMBL3822074 0.79 BACE1 (0.64) PTPN1BACE1MAOBAPPCOPS5
SCHEMBL15970619 0.79 MAOB (0.62) PTPN1BACE1MAOBAPPCNR1
SCHEMBL15970620 0.79 MAOB (0.62) PTPN1BACE1MAOBAPPCNR1
SCHEMBL3822078 0.79 BACE1 (0.64) PTPN1BACE1MAOBAPPCOPS5
SCHEMBL14248285 0.77 MGAM (0.54) PTPN1BACE1MAOBAPPOSBP
SCHEMBL29059700 0.77 OSBP (0.47) PTPN1BACE1MAOBAPPCNR2

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
EP-1694833-B1 2-METHYL-6-SOLANYLBENZOQUINONE METHYLTRANSFERASE AS TARGET FOR HERBICIDES BASF SE (DE) 2009-08-26 EP disclosed
US-20070003934-A1 2-Methyl-6-solanylbenzoquinone methyltransferase as target for herbicides BASF AKIENGESELLSCHAFT (DE) 2007-01-04 US disclosed