SCHEMBL7456261

SCHEMBL7456261

N=C(Cl)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
KDM1A O60341 4/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
KCNH2 Q12809 4/20 0.35
ADRA1A P35348 1/20 0.34
PIN1 Q13526 1/20 0.34
GID4 Q8IVV7 1/20 0.34

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
SCHEMBL7462805 0.88 MAPK1 (0.45) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL8821322 0.85 MAPK1 (0.48) MAPK1MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL7454524 0.84 MAPK1 (0.47) MAPK1MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL7455100 0.84 MAPK1 (0.45) MAPK1MAPK14MAOBHAO1KCNH2
SCHEMBL8534262 0.84 MAPK1 (0.39) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7462453 0.84 MAPK1 (0.39) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL7454518 0.83 MAPK1 (0.44) MAPK1MAPK14MAOBSLC6A2SLC6A4
SCHEMBL7462516 0.82 MAPK1 (0.46) MAPK1MAPK14PRSS1PRSS2PRSS3
SCHEMBL8540825 0.79 MAPK1 (0.43) MAPK1MAPK14KDM1AMAOAMAOB
SCHEMBL8538978 0.76 MAPK1 (0.41) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-B1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO TECHNOLOGY LLC (US) 2002-10-02 EP claimed
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP claimed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO claimed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO claimed
EP-0877730-B1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO TECHNOLOGY LLC (US) 2002-10-02 EP disclosed
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US 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