SCHEMBL7572977

SCHEMBL7572977

COc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1CS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.35
NR1H4 Q96RI1 9/20 0.33
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32
DHODH Q02127 3/20 0.31
MAPT P10636 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL7575354 0.88 DHODH (0.35) NR1H4DHODH
SCHEMBL9115295 0.87 PDE4D (0.35) PDE4DNR1H4DHODHPDE4B
SCHEMBL7575598 0.85 DHODH (0.33) NR1H4DHODH
SCHEMBL7575367 0.85 PDE4D (0.34) PDE4DNR1H4DHODHPDE4B
SCHEMBL8729870 0.85 DHODH (0.33) PDE4DNR1H4DHODHPDE4B
SCHEMBL7573255 0.84 DHODH (0.32) NR1H4DHODH
SCHEMBL7577830 0.84 DHODH (0.32) NR1H4DHODH
SCHEMBL7576281 0.83 PDE4D (0.33) PDE4DNR1H4DHODHPDE4B
SCHEMBL9116932 0.83 DHODH (0.35) PDE4DDHODHMAPTPDE4B
SCHEMBL8491946 0.82 DHODH (0.33) PDE4DNR1H4DHODHPDE4B

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