SCHEMBL9816420

SCHEMBL9816420

CCC(=O)C1=C(O)CC(c2c(C)cc(C)c(N)c2C)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LDHA P00338 2/20 0.30
LDHB P07195 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
SCHEMBL10684398 0.91 MEN1 (0.36) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10503664 0.85 RAB9A (0.37) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9816300 0.84 RAB9A (0.36) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10703633 0.84 RAB9A (0.34) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9807015 0.84 RAB9A (0.34) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10683913 0.84 CA1 (0.37) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10684260 0.83 RAB9A (0.36) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9807010 0.83 RAB9A (0.36) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10503346 0.83 L3MBTL1 (0.37) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL8091912 0.83 RAB9A (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209283-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-10-16 EP disclosed
US-4888043-A FOR MONOCOTYLEDONOUS WEEDS IN DICOTYLEDONOUS CROPS; 2-OXIMIDO-4-(2,4,6-TRIMETHYL-3-AMINO-SUBSTITUENT-PHENYL)CYCLO-HEX-1-ENE-1,3 -DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1989-12-19 US disclosed
US-4767879-A PHENYL CYCLOHEXANE-1,3 DIONE DERIVATIVES; POSTEMERGENCE AND PREEMERGENCE HERBICIDES; PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1988-08-30 US disclosed
US-4666510-A Cyclohexenone derivatives and their herbicidal use. ICI AUSTRALIA LIMITED (AU) 1987-05-19 US disclosed
EP-0209283-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-01-21 EP disclosed
EP-0085529-B1 CYCLOHEXANE DIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1986-08-27 EP disclosed
EP-0085529-A2 Cyclohexane dione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-10 EP disclosed