SCHEMBL8091912

SCHEMBL8091912

CCC(=O)C1=C(O)CC(c2c(C)cc(C)cc2C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR2F2 P24468 1/20 0.36
LDHA P00338 3/20 0.35
LDHB P07195 2/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 4/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL10683366 0.92 RAB9A (0.40) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10682228 0.89 MEN1 (0.39) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10679232 0.86 LDHA (0.48) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10679894 0.86 RAB9A (0.37) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9816420 0.83 RAB9A (0.37) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10503664 0.83 RAB9A (0.37) RAB9AMAPTKDM4EGAAMEN1
Alcohol SCHEMBL27584666 0.83 MEN1 (0.39) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL10678641 0.82 RAB9A (0.41) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL9816300 0.82 RAB9A (0.36) RAB9AMAPTKDM4EGAAMEN1
SCHEMBL8510200 0.82 RAB9A (0.32) RAB9AMEN1KMT2ANR2F2LDHA

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041156-B Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2024-04-05 CN claimed
CN-116041156-A Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2023-05-02 CN claimed
CN-113999137-A Preparation method of tralkoxydim 江苏省农用激素工程技术研究中心有限公司 2022-02-01 CN claimed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP claimed
EP-0488645-B1 Crystallisation process ICI AUSTRALIA OPERATIONS (AU) 1995-09-13 EP claimed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US claimed
US-5354889-A Crystallization process ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1994-10-11 US claimed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP claimed
CN-116041156-B Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2024-04-05 CN disclosed
CN-116041156-B Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2024-04-05 CN disclosed
CN-116041156-B Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2024-04-05 CN disclosed
CN-116041156-A Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2023-05-02 CN disclosed
CN-116041156-A Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2023-05-02 CN disclosed
CN-116041156-A Synthesis method of 5- (2, 4, 6-trimethyl phenyl) -2-propionyl-3-hydroxy-2-cyclohexene-1-one 南京合创药业有限公司 2023-05-02 CN 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-0133349-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1985-02-20 EP disclosed
EP-0128642-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-19 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
EP-0080301-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP disclosed