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Sugi Predict / Compounds / SCHEMBL3822074

SCHEMBL3822074

SCHEMBL3822074

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1cc(O)cc(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.64
▸ APP P05067 4/20 0.58
▸ MAOB P27338 3/20 0.58
▸ PTPN1 P18031 2/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ NR1H4 Q96RI1 2/20 0.44
▸ COPS5 Q92905 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
SCHEMBL3822078 1.00 BACE1 (0.64) BACE1APPMAOBPTPN1KMT2A
SCHEMBL4614966 0.88 BACE1 (0.79) BACE1APPMAOBPTPN1KMT2A
SCHEMBL29352109 0.88 BACE1 (0.79) BACE1APPMAOBPTPN1KMT2A
SCHEMBL4807578 0.88 BACE1 (0.79) BACE1APPMAOBPTPN1KMT2A
SCHEMBL12281887 0.87 BACE1 (0.55) BACE1APPMAOBPTPN1NR1H4
SCHEMBL3825339 0.79 PTPN1 (0.51) BACE1APPMAOBPTPN1KMT2A
SCHEMBL3825335 0.79 PTPN1 (0.51) BACE1APPMAOBPTPN1KMT2A
SCHEMBL14502405 0.79 BACE1 (0.93) BACE1APPMAOBPTPN1NR1H4
SCHEMBL5361667 0.79 BACE1 (0.93) BACE1APPMAOBPTPN1NR1H4
SCHEMBL5361663 0.79 BACE1 (0.93) BACE1APPMAOBPTPN1NR1H4

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