SCHEMBL8534262

SCHEMBL8534262

CO/N=C(\Cl)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM1A O60341 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
HIF1A Q16665 5/20 0.36
GID4 Q8IVV7 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 1/20 0.34
PIN1 Q13526 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HAO1 Q9UJM8 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
SCHEMBL7462453 1.00 MAPK1 (0.39) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7462805 0.84 MAPK1 (0.45) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7456261 0.84 MAPK1 (0.40) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL8528118 0.82 HIF1A (0.46) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7462516 0.82 MAPK1 (0.46) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL8821322 0.80 MAPK1 (0.48) MAPK1MAPK14KCNH2SLC6A2SLC6A4
SCHEMBL8534610 0.80 MAPK1 (0.34) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7454524 0.79 MAPK1 (0.47) MAPK1MAPK14KCNH2SLC6A2SLC6A4
SCHEMBL7455100 0.79 MAPK1 (0.45) MAPK1MAPK14MAOBKCNH2HAO1
SCHEMBL8540825 0.79 MAPK1 (0.43) 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