SCHEMBL7455100

SCHEMBL7455100

NC(=O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
MAPK14 Q16539 1/20 0.45
KCNH2 Q12809 7/20 0.43
SCN3A Q9NY46 7/20 0.43
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
SCN7A Q01118 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
MAOB P27338 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP10 Q53GL7 3/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
HAO1 Q9UJM8 1/20 0.41

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
SCHEMBL8821322 0.89 MAPK1 (0.48) MAPK1MAPK14KCNH2SCN3ASCN1A
SCHEMBL7462805 0.88 MAPK1 (0.45) MAPK1MAPK14KCNH2SCN3ASCN1A
SCHEMBL7454524 0.88 MAPK1 (0.47) MAPK1MAPK14KCNH2SCN3ASCN1A
SCHEMBL7454518 0.87 MAPK1 (0.44) MAPK1MAPK14KCNH2SCN3ASCN1A
SCHEMBL7462516 0.86 MAPK1 (0.46) MAPK1MAPK14KCNH2SCN3AMAOB
SCHEMBL8540825 0.86 MAPK1 (0.43) MAPK1MAPK14KCNH2SCN3ASCN1A
SCHEMBL7456261 0.84 MAPK1 (0.40) MAPK1MAPK14KCNH2SCN3ASCN1A
SCHEMBL8538978 0.80 MAPK1 (0.41) MAPK1MAPK14KCNH2MAOBHAO1
SCHEMBL8538979 0.80 MAPK1 (0.41) MAPK1MAPK14KCNH2MAOBHAO1
SCHEMBL8534262 0.79 MAPK1 (0.39) MAPK1MAPK14KCNH2MAOBHAO1

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 4 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 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-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed