SCHEMBL8489209

SCHEMBL8489209

CC(C)(C)OC(=O)C(C(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PDK2 Q15119 3/20 0.41
PDE2A O00408 2/20 0.38
GPR119 Q8TDV5 2/20 0.37
HPD P32754 1/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR2 O15552 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CFTR P13569 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAT2A P31153 1/20 0.34
CRHR1 P34998 1/20 0.34
SCD O00767 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
SCHEMBL27286555 0.91 KMT2A (0.34) KMT2APDK2KDM4EALDH1A1HPGD
SCHEMBL8488374 0.88 CES2 (0.45) KMT2AHPDKDM4EUSP2ALDH1A1
SCHEMBL8492842 0.86 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1HPGDCYP2C19
SCHEMBL8488762 0.85 HPD (0.44) PDK2PDE2AGPR119HPDKDM4E
SCHEMBL8494848 0.83 HPD (0.57) KMT2AHPDALDH1A1CYP2C19MEN1
SCHEMBL8492580 0.82 RAB9A (0.35) KDM4EALDH1A1HPGDCYP2C19LMNA
SCHEMBL9195406 0.82 HPGD (0.37) GPR119KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8489240 0.81 GPR119 (0.38) KMT2APDK2GPR119ALDH1A1CYP2C19
SCHEMBL7700518 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL8493033 0.80 KMT2A (0.34) KMT2AMEN1LMNA

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