SCHEMBL7572967

SCHEMBL7572967

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Br)cc1CS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TARBP2 Q15633 1/20 0.34
TP53 P04637 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.34
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
HTT P42858 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.33
HSP90AA1 P07900 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ELANE P08246 1/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 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
SCHEMBL7574515 0.88 WDR5 (0.32)
SCHEMBL8490660 0.87 TP53 (0.36) ALDH1A1TARBP2TP53SLC26A6GABRG2
SCHEMBL9113480 0.87 HCRTR2 (0.37) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL7581819 0.86 MAPT (0.36) ALDH1A1TARBP2TP53SLC26A6GABRG2
SCHEMBL8816612 0.86 TP53 (0.41) ALDH1A1TARBP2TP53GABRG2GABRB3
SCHEMBL7573179 0.85 HSP90AA1 (0.34) ALDH1A1TARBP2TP53SLC26A6GABRG2
SCHEMBL8816925 0.84 ALDH1A1 (0.35) ALDH1A1TARBP2TP53SLC26A6GABRG2
SCHEMBL8814724 0.84 ALDH1A1 (0.35) ALDH1A1TARBP2TP53SLC26A6GABRG2
SCHEMBL7576144 0.83 HTT (0.36) ALDH1A1TARBP2HTTSMN1; SMN2MAPT
SCHEMBL8818393 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed