SCHEMBL8488374

SCHEMBL8488374

CC(C)(C)OC(=O)C(C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)C(=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
HPD P32754 1/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.36
KMT2A Q03164 2/20 0.35
STS P08842 1/20 0.35
CFTR P13569 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
SLC6A9 P48067 1/20 0.32

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
SCHEMBL8492580 0.88 RAB9A (0.35) CYP2C19KDM4EALDH1A1HPGDEPHX2
SCHEMBL8489209 0.88 KMT2A (0.41) HPDCYP2C19KDM4EUSP2ALDH1A1
SCHEMBL8490986 0.85 CACNA1B (0.40) SLC6A9CYP3A4
SCHEMBL8493489 0.85 SLC6A2 (0.39) CYP2C19KDM4EALDH1A1CYP2C9
SCHEMBL8493694 0.84 CES2 (0.50) CES2HPDCYP2C19KDM4EUSP2
SCHEMBL8494848 0.84 HPD (0.57) HPDCYP2C19ALDH1A1KMT2AMEN1
SCHEMBL9019915 0.83 CES2 (0.51) CES2HPDCYP2C19KDM4EUSP2
SCHEMBL8492839 0.80 HPD (0.53) HPDCYP2C19ALDH1A1KMT2AMEN1
SCHEMBL8489427 0.80 HPD (0.53) HPDCYP2C19ALDH1A1KMT2AMEN1
SCHEMBL1224904 0.80 EPHX2 (0.31) EPHX2

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 8 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
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN disclosed