SCHEMBL8540825

SCHEMBL8540825

CONC(=O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MAPK14 Q16539 1/20 0.43
KCNH2 Q12809 5/20 0.40
HAO1 Q9UJM8 1/20 0.40
TAOK1 Q7L7X3 2/20 0.39
SCN3A Q9NY46 5/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PIN1 Q13526 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL7462516 0.88 MAPK1 (0.46) MAPK1MAPK14KCNH2HAO1SCN3A
SCHEMBL7455100 0.86 MAPK1 (0.45) MAPK1MAPK14KCNH2HAO1SCN3A
SCHEMBL8821322 0.85 MAPK1 (0.48) MAPK1MAPK14KCNH2HAO1TAOK1
SCHEMBL7462805 0.84 MAPK1 (0.45) MAPK1MAPK14KCNH2HAO1TAOK1
SCHEMBL7454524 0.84 MAPK1 (0.47) MAPK1MAPK14KCNH2HAO1TAOK1
SCHEMBL7454518 0.83 MAPK1 (0.44) MAPK1MAPK14KCNH2HAO1TAOK1
SCHEMBL8538978 0.82 MAPK1 (0.41) MAPK1MAPK14KCNH2HAO1PIN1
SCHEMBL8538979 0.82 MAPK1 (0.41) MAPK1MAPK14KCNH2HAO1PIN1
SCHEMBL8528118 0.81 HIF1A (0.46) MAPK1MAPK14KCNH2HAO1PIN1
SCHEMBL7456261 0.79 MAPK1 (0.40) MAPK1MAPK14KCNH2HAO1SCN3A

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