SCHEMBL7574484

SCHEMBL7574484

CCOC(=O)c1noc(C2CC2)c1C(=O)c1cccc(Br)c1C[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
HCRTR2 O43614 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7575363 0.88 HSD11B1 (0.32) RAB9ANPC1HSD11B1
SCHEMBL7573013 0.86 KDM4E (0.36) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7576144 0.86 HTT (0.36) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8813481 0.86 HTT (0.39) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8814793 0.85 HTT (0.36) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7573179 0.84 HSP90AA1 (0.34) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6292090 0.82 HTT (0.39) HTTHCRTR2LMNAKDM4ETSHR
SCHEMBL9115212 0.80 TSHR (0.35) HTTHCRTR2TSHRHSD17B10ALDH1A1
SCHEMBL6292089 0.80 TSHR (0.38) HTTHCRTR2LMNAKDM4ETSHR
SCHEMBL8814798 0.79 HTT (0.36) HTTCACNA1FCACNA1DCACNA1SCACNA1C

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