SCHEMBL8538979

SCHEMBL8538979

COC=C(C(=O)OC)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
HIF1A Q16665 3/20 0.36
KCNH2 Q12809 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL8538978 1.00 MAPK1 (0.41) MAPK1MAPK14KDM4EHAO1HIF1A
SCHEMBL8536308 0.94 MAPK1 (0.48) MAPK1MAPK14KDM4EHAO1
SCHEMBL7462516 0.85 MAPK1 (0.46) MAPK1MAPK14KDM4EHAO1KCNH2
SCHEMBL8540825 0.82 MAPK1 (0.43) MAPK1MAPK14KDM4EHAO1KCNH2
SCHEMBL8821322 0.81 MAPK1 (0.48) MAPK1MAPK14KDM4EHAO1KCNH2
SCHEMBL7455100 0.80 MAPK1 (0.45) MAPK1MAPK14HAO1KCNH2MAOB
SCHEMBL7454524 0.80 MAPK1 (0.47) MAPK1MAPK14KDM4EHAO1KCNH2
SCHEMBL7462805 0.80 MAPK1 (0.45) MAPK1MAPK14KDM4EHAO1KCNH2
SCHEMBL7172810 0.80 HIF1A (0.50) KDM4EHIF1A
SCHEMBL7172808 0.80 HIF1A (0.50) KDM4EHIF1A

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