SCHEMBL8534610

SCHEMBL8534610

CON=C(c1ccccc1COc1ccc(C2CCc3ccccc32)cc1)n1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
MAPK14 Q16539 1/20 0.34
FAAH O00519 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HIF1A Q16665 3/20 0.32
KCNH2 Q12809 2/20 0.32
TBXAS1 P24557 2/20 0.32
CYP19A1 P11511 1/20 0.32
GID4 Q8IVV7 1/20 0.31
ADRA1A P35348 2/20 0.31
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30
HTR1A P08908 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
TBXA2R P21731 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL7462453 0.80 MAPK1 (0.39) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL8534262 0.80 MAPK1 (0.39) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL8528118 0.75 HIF1A (0.46) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7462516 0.74 MAPK1 (0.46) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7535672 0.74 NR1I2 (0.48) HIF1AKCNH2CYP19A1ADRA1ANR1I2
SCHEMBL7535674 0.74 NR1I2 (0.48) HIF1AKCNH2CYP19A1ADRA1ANR1I2
SCHEMBL8821322 0.73 MAPK1 (0.48) MAPK1MAPK14KCNH2SLC6A2SLC6A4
SCHEMBL7454524 0.72 MAPK1 (0.47) MAPK1MAPK14KCNH2SLC6A2SLC6A4
SCHEMBL7456261 0.72 MAPK1 (0.40) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7462805 0.72 MAPK1 (0.45) MAPK1MAPK14KDM1AMAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed