SCHEMBL7576144

SCHEMBL7576144

CCOC(=O)c1noc(C2CC2)c1C(=O)c1cccc(Br)c1CS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
TDP2 O95551 2/20 0.33
POLB P06746 2/20 0.33
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 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TARBP2 Q15633 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 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
SCHEMBL7575502 0.88 NR1H4 (0.33)
SCHEMBL7573013 0.87 KDM4E (0.36) HTTTDP2POLBCACNA1FCACNA1D
SCHEMBL8813481 0.86 HTT (0.39) HTTTDP2POLBCACNA1FCACNA1D
SCHEMBL7574484 0.86 HTT (0.35) HTTTDP2POLBCACNA1FCACNA1D
SCHEMBL9113480 0.86 HCRTR2 (0.37) HTTTDP2HCRTR2LMNAMAPT
SCHEMBL8814793 0.85 HTT (0.36) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7572967 0.83 ALDH1A1 (0.34) HTTLMNAMAPTTSHRKDM4E
SCHEMBL6292090 0.82 HTT (0.39) HTTTDP2POLBHCRTR2LMNA
SCHEMBL8492187 0.82 ALDH1A1 (0.35) HTTTDP2POLBCACNA1FCACNA1D
SCHEMBL8493474 0.82 TSHR (0.37) HTTTDP2POLBHCRTR2LMNA

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