SCHEMBL8821322

SCHEMBL8821322

O=C(O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
MAPK14 Q16539 1/20 0.48
HAO1 Q9UJM8 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NR4A2 P43354 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
KCNH2 Q12809 4/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TAOK1 Q7L7X3 2/20 0.39
SCN3A Q9NY46 4/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL7454524 0.99 MAPK1 (0.47) MAPK1MAPK14HAO1TP53HTT
SCHEMBL7455100 0.89 MAPK1 (0.45) MAPK1MAPK14HAO1KCNH2SCN3A
SCHEMBL7462805 0.89 MAPK1 (0.45) MAPK1MAPK14HAO1KDM4ENR4A2
SCHEMBL7454518 0.88 MAPK1 (0.44) MAPK1MAPK14HAO1KDM4EPTPRC
SCHEMBL7462516 0.87 MAPK1 (0.46) MAPK1MAPK14HAO1KDM4EKCNH2
SCHEMBL7456261 0.85 MAPK1 (0.40) MAPK1MAPK14HAO1KCNH2SLC6A2
SCHEMBL8540825 0.85 MAPK1 (0.43) MAPK1MAPK14HAO1KDM4EKCNH2
SCHEMBL8538978 0.81 MAPK1 (0.41) MAPK1MAPK14HAO1KDM4EKCNH2
SCHEMBL8538979 0.81 MAPK1 (0.41) MAPK1MAPK14HAO1KDM4EKCNH2
SCHEMBL8534262 0.80 MAPK1 (0.39) MAPK1MAPK14HAO1KCNH2SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed