SCHEMBL7209244

SCHEMBL7209244

C[CH]CCC(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.38
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
EPHX2 P34913 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
HTT P42858 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2B P41595 1/20 0.35
MC3R P41968 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN5A Q14524 1/20 0.35
CYP2D6 P10635 1/20 0.33
NOTUM Q6P988 1/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL27844940 0.84 LMNA (0.48) LMNATSHRMAPTFAAHMGLL
SCHEMBL8750063 0.82 LMNA (0.50) LMNATSHRMAPTFAAHMGLL
SCHEMBL514518 0.80 FAAH (0.49) LMNATSHRMAPTFAAHMGLL
SCHEMBL304068 0.80 LMNA (0.48) LMNATSHRMAPTFAAHMGLL
SCHEMBL72471 0.80 LMNA (0.62) LMNATSHRMAPTEPHX2HCAR2
SCHEMBL27638798 0.78 LMNA (0.47) LMNATSHRALDH1A1
SCHEMBL31402602 0.78 LMNA (0.60) LMNATSHRMAPTHCAR2HTT
SCHEMBL9113382 0.77 LMNA (0.46) LMNATSHRMAPTFAAHMGLL
SCHEMBL9113376 0.77 LMNA (0.46) LMNATSHRMAPTFAAHMGLL
SCHEMBL28332773 0.77 LMNA (0.55) LMNAMAPTFAAHHCAR2PGR

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-0736019-B1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEM CORP (JP) 2003-05-28 EP disclosed
US-5977025-A CONTROLLING WEEDS MITSUBISHI CHEMICAL CORPORATION (JP) 1999-11-02 US disclosed
EP-0736019-A1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-09 EP disclosed
WO-1995018113-A1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-06 WO disclosed