SCHEMBL9722674

SCHEMBL9722674

CCC(=O)C1=C(O)CC(c2cc(C)c3c(c2C)CCC3)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL10799931 0.80 PPARG (0.31)
SCHEMBL10705267 0.77 RAB9A (0.46) RAB9AMAPTKDM4EGAAMAP1LC3B
SCHEMBL10734421 0.75 RAB9A (0.47) RAB9AMAPTKDM4EGAAMAP1LC3B
SCHEMBL8091912 0.75 RAB9A (0.40) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10683366 0.75 RAB9A (0.40) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9722677 0.74 RAB9A (0.31) RAB9A
SCHEMBL10678641 0.74 RAB9A (0.41) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9727101 0.73 RAB9A (0.30) RAB9A
SCHEMBL9722645 0.72 RAB9A (0.44) RAB9AMAPTKDM4EGAAMAP1LC3B
SCHEMBL9816420 0.72 RAB9A (0.37) RAB9AMAPTKDM4EGAAMEN1

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
US-5110989-A Pre- and postemergence; plant growth regulators ICI AUSTRALIA LIMITED (AU) 1992-05-05 US disclosed
US-4952722-A CYCLOHEX-2-EN-1-ONE DERIVATIVES; HERBICIDES ICI AUSTRALIA LIMITED (AU) 1990-08-28 US disclosed
EP-0086588-A2 Cyclohexanedione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-24 EP disclosed