SCHEMBL8530757

SCHEMBL8530757

CC(=NO)c1ccc(C2CCCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.55
MAPK1 P28482 1/20 0.51
MAPK14 Q16539 1/20 0.51
GID4 Q8IVV7 1/20 0.48
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2D6 P10635 2/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8530025 0.92 HAO1 (0.45) HAO1MAPK1MAPK14GID4ADRA1A
SCHEMBL8527467 0.83 HAO1 (0.64) HAO1MAPK1MAPK14GID4IGF1R
SCHEMBL7059074 0.77 HAO1 (0.57) HAO1MAPK1MAPK14GID4ADRA2A
SCHEMBL14360065 0.77 HAO1 (0.64) HAO1MAPK1MAPK14GID4ADRA2A
SCHEMBL8527122 0.77 ADRA2A (0.43) ADRA2AADRA1ASIGMAR1
SCHEMBL7083547 0.77 HAO1 (0.64) HAO1MAPK1MAPK14GID4KMT2A
SCHEMBL29842306 0.77 GID4 (0.62) HAO1MAPK1MAPK14GID4ADRA2A
SCHEMBL395087 0.77 GID4 (0.62) HAO1MAPK1MAPK14GID4ADRA2A
SCHEMBL8530633 0.74 MAPK1 (0.53) HAO1MAPK1MAPK14GID4ADRA2A
SCHEMBL20863578 0.74 HAO1 (0.53) HAO1MAPK1MAPK14GID4ADRA2A

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-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