SCHEMBL10679232

SCHEMBL10679232

CCC(=O)C1=C(O)CC(c2c(C)cccc2C)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.48
LDHB P07195 3/20 0.48
RAB9A P51151 2/20 0.46
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
MAP1LC3B Q9GZQ8 2/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8091912 0.86 RAB9A (0.40) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10683366 0.86 RAB9A (0.40) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10705267 0.85 RAB9A (0.46) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10732076 0.84 RAB9A (0.43) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10678641 0.82 RAB9A (0.41) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10679894 0.81 RAB9A (0.37) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10736188 0.80 RAB9A (0.41) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL10734140 0.79 RAB9A (0.41) LDHALDHBRAB9AMAPTKDM4E
SCHEMBL9345685 0.78 RAB9A (0.53) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9816420 0.78 RAB9A (0.37) LDHALDHBRAB9AMAPTKDM4E

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
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-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