SCHEMBL21979

SCHEMBL21979

[c]1cccc(-c2ccccc2)c1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.44
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDK2 Q15119 2/20 0.33
CYP11B2 P19099 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
VCP P55072 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL20361977 0.79 GAA (0.33) HRH1GAAALDH1A1MEN1KMT2A
SCHEMBL27522110 0.75 HRH1 (0.71) HRH1GAAMEN1KMT2APDE5A
SCHEMBL623489 0.73 NPSR1 (0.37) MEN1KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL2469196 0.72 PDE4A (0.40) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL3549018 0.72 MAOB (0.40) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL3535486 0.72 ALDH1A1 (0.39) GAAALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6640137 0.71 KMT2A (0.43) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5392376 0.70 LTA4H (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL6100016 0.70 HRH1 (0.54) HRH1PDK2PDE5APDE4APDE4B
Hydrogen Sulfide SCHEMBL28026407 0.70 NAAA (0.47) HRH1ALDH1A1PDK2

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-2608666-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO S.p.A. (IT) 2013-07-03 EP disclosed
WO-2012025450-A1 PHENYLAMIDINES HAVING A HIGH FUNGICIDAL ACTIVITY AND USE THEREOF ISAGRO RICERCA S.R.L. (IT) 2012-03-01 WO disclosed