SCHEMBL8488377

SCHEMBL8488377

CC(C)C(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
USP28 Q96RU2 6/20 0.36

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
SCHEMBL8491881 0.88 LMNA (0.42) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8607107 0.85 LMNA (0.39) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8489240 0.83 GPR119 (0.38) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8492581 0.81 GPR119 (0.33) LMNAALDH1A1CYP2C19KMT2AMAPT
SCHEMBL8491698 0.75 IKBKB (0.35) ALDH1A1GPR119
SCHEMBL8494434 0.71 HPD (0.46) LMNAMEN1ALDH1A1KMT2ANPSR1
SCHEMBL1016807 0.70 LMNA (0.59) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8493162 0.70 HPD (0.57) MEN1ALDH1A1CYP2C19KMT2AMAPT
SCHEMBL8110000 0.70 GPR119 (0.43) GPR119
SCHEMBL8494506 0.68 LMNA (0.35) LMNAALDH1A1CYP2C19KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1066439-C Method for prepn. of isoxazoles herbicides RHONE POULENC AGROCHIMIE (GB) 2001-05-30 CN 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
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN 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
CN-1141294-A Method for prepn. of isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN 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