SCHEMBL20205935

SCHEMBL20205935

CNc1cccc(C)c1COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APP P05067 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
HTR1B P28222 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
SCHEMBL8750400 0.81 CYP1A2 (0.39) GAAHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL20342685 0.78 KCNH2 (0.40) GAAMAPTHTTKDM4EPOLB
SCHEMBL10310076 0.78 MAPT (0.40) GAAMAPTHTTKDM4EPOLB
SCHEMBL10561697 0.76 MAPT (0.39) GAAMAPTHTTKDM4EPOLB
SCHEMBL21257666 0.76 AOC1 (0.44) GAAMAPTHTTKDM4EPOLB
SCHEMBL12203602 0.74 TSHR (0.39) GAAMAPTHTTKDM4EPOLB
SCHEMBL22590915 0.74 MAPT (0.34) GAAMAPTHTTPOLBHSD17B10
SCHEMBL28044651 0.74 KDM4E (0.40) MAPTHTTKDM4EPOLBATM
SCHEMBL18831590 0.73 SLC22A12 (0.40) MAPTMEN1KMT2AAPPCYP1A2
SCHEMBL19867469 0.72 TAAR1 (0.34) GAAKDM4EHSD17B10CYP1A2CYP3A4

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
WO-2018097318-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-31 WO disclosed