SCHEMBL8327485

SCHEMBL8327485

O=C(CC(=O)C1CC1)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.50
WNT3A P56704 6/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR2B P41595 1/20 0.45
MAPK14 Q16539 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 1/20 0.44
RBP4 P02753 1/20 0.44
PTGS1 P23219 1/20 0.43
MGLL Q99685 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8489374 0.81 CES2 (0.55) LMNA
SCHEMBL8191987 0.81 L3MBTL1 (0.43) L3MBTL1
SCHEMBL8488889 0.80 KDM4E (0.44) CYP2C19L3MBTL1
SCHEMBL8439499 0.78 LMNA (0.53) CTNNB1WNT3ALMNAGAA
SCHEMBL31475594 0.77 LMNA (0.56) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL2494518 0.77 LMNA (0.56) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL3474396 0.77 LMNA (0.56) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL8489375 0.77 LMNA (0.56) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL8328384 0.77 HDAC6 (0.45) CTNNB1WNT3ALMNACYP2C9RBP4
SCHEMBL1950901 0.76 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929510-A2 PROCESSES FOR THE PREPARATION OF ARYL-$g(b)-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1999-07-21 EP disclosed
US-5925795-A Processes for the preparation of aryl-β-diketones, arylpyrimidine ketones and crop protection intermediates ZENECA LIMITED (GB) 1999-07-20 US disclosed
EP-0927169-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1999-07-07 EP disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
WO-1998011074-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1998-03-19 WO disclosed
WO-1998011046-A2 PROCESSES FOR THE PREPARATION OF ARYL-β-DIKETONES, ARYL-PYRIMIDINE KETONES AND CROP PROTECTION INTERMEDIATES ZENECA LIMITED (GB) 1998-03-19 WO disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed