SCHEMBL8495014

SCHEMBL8495014

CCc1cc(S(C)(=O)=O)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KIF18A Q8NI77 1/20 0.32
PDE2A O00408 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
NPC1 O15118 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
PNMT P11086 1/20 0.32
LMNA P02545 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL7573465 0.91 DHODH (0.33) DHODHMEN1KMT2AKIF18APDE2A
SCHEMBL8890658 0.88 PTGS2 (0.40) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL8891642 0.86 ALDH1A1 (0.39) TRPM8MEN1KMT2APTGS1PTGS2
SCHEMBL8891685 0.86 PTGS2 (0.38) MEN1KMT2APTGS1PTGS2
SCHEMBL8493300 0.86 DHODH (0.36) DHODHALDH1A1KIF18APDE2ANPC1
SCHEMBL8683983 0.86 DHODH (0.36) DHODHKMT2AKIF18APDE2ANPC1
SCHEMBL8890712 0.85 KDM4E (0.34) PTGS1PTGS2KIF18APDE2ANPC1
SCHEMBL8894099 0.85 PTGS2 (0.40) MEN1KMT2APTGS2ALDH1A1NPC1
SCHEMBL8818315 0.85 KAT7 (0.37) MEN1KMT2AKIF18APDE2A
SCHEMBL8492055 0.85 NR1I2 (0.39) DHODHPTGS2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US claimed
EP-0527037-B1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-10-16 EP claimed
CN-1069267-A HERBICIDE RHONE POULENC AGRICULTURE (GB) 1993-02-24 CN claimed
EP-0527037-A1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-02-10 EP claimed
CN-1042334-C Herbicide composition containing 4-benzoyl isoxazole derivative and application thereof RHONE POULENC AGRICULTURE (GB) 1999-03-03 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
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-1141295-A Prepn. method for 4-benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN disclosed
EP-0527037-B1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-10-16 EP disclosed
WO-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed
CN-1069267-A HERBICIDE RHONE POULENC AGRICULTURE (GB) 1993-02-24 CN disclosed
EP-0527037-A1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-02-10 EP disclosed