SCHEMBL11435385

SCHEMBL11435385

CC(Cc1ccc(C(C)C)cc1)CN1CC(C)OC(C)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.71
EBP Q15125 1/20 0.71
ADORA3 P0DMS8 1/20 0.66
CHRM1 P11229 1/20 0.66
DRD3 P35462 1/20 0.66
KCNH2 Q12809 1/20 0.66
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.39

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
Hydrochloric Acid SCHEMBL11428860 0.99 SIGMAR1 (0.69) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11463101 0.89 SIGMAR1 (0.67) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL9141946 0.88 SIGMAR1 (0.71) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11462886 0.88 SIGMAR1 (0.74) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL12555721 0.87 SIGMAR1 (0.66) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL10887406 0.85 SIGMAR1 (0.71) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL9850406 0.85 SIGMAR1 (0.71) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL10887412 0.85 SIGMAR1 (0.71) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11927700 0.85 EBP (0.70) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11927701 0.85 EBP (0.70) SIGMAR1EBPADORA3CHRM1DRD3

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-0006992-A1 3-(p-Isopropyl-phenyl)-2-methyl-n-propyl amines, fungicides containing these compounds, a method for the preparation of said compounds and a method for combating fungi by using said compounds BASF Aktiengesellschaft (DE) 1980-01-23 EP claimed
EP-0006992-A1 3-(p-Isopropyl-phenyl)-2-methyl-n-propyl amines, fungicides containing these compounds, a method for the preparation of said compounds and a method for combating fungi by using said compounds BASF Aktiengesellschaft (DE) 1980-01-23 EP disclosed