SCHEMBL7558771

SCHEMBL7558771

CCN(c1c(C(=O)c2cnoc2C2CC2)ccc(F)c1F)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.33
DHODH Q02127 3/20 0.33
CRACR2A Q9BSW2 2/20 0.32
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PTK2 Q05397 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL7554901 0.90 GRM5 (0.35) DHODH
SCHEMBL7550434 0.89 DHODH (0.31) DHODH
SCHEMBL7559214 0.87 DHODH (0.34) BRAFDHODHCRACR2A
SCHEMBL7552040 0.84 SMYD3 (0.32) DHODHKEAP1NFE2L2
SCHEMBL7557917 0.83 PER2 (0.34) DHODHTRPV1PTK2DPP4DPP9
SCHEMBL7554893 0.82 GHSR (0.36) DHODHKEAP1NFE2L2
SCHEMBL7555044 0.81 DHODH (0.35) BRAFDHODHCRACR2A
SCHEMBL7553059 0.81 ALDH1A1 (0.31)
SCHEMBL7559631 0.81 TP53 (0.39) LMNA
SCHEMBL8748147 0.81 DHODH (0.33) BRAFDHODHCRACR2ATRPV1

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
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed