SCHEMBL7575367

SCHEMBL7575367

COc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1CSC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.34
NR1H4 Q96RI1 6/20 0.33
DHODH Q02127 3/20 0.32
PDE4B Q07343 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
STAT3 P40763 1/20 0.30
PDE2A O00408 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
SCHEMBL9115295 0.90 PDE4D (0.35) PDE4DNR1H4DHODHPDE4B
SCHEMBL9116511 0.88 DHODH (0.34) NR1H4DHODHALDH1A1HPGDPDE2A
SCHEMBL7575625 0.87 DHODH (0.33) DHODHPDE2A
SCHEMBL7577256 0.85 DHODH (0.32) DHODHPDE2A
SCHEMBL7575595 0.85 DHODH (0.33) DHODHPDE2A
SCHEMBL7572977 0.85 PDE4D (0.35) PDE4DNR1H4DHODHPDE4B
SCHEMBL8729861 0.84 PDE4B (0.34) PDE4DNR1H4DHODHPDE4BALDH1A1
SCHEMBL7576281 0.84 PDE4D (0.33) PDE4DNR1H4DHODHPDE4BPDE2A
SCHEMBL9116932 0.84 DHODH (0.35) PDE4DDHODHPDE4BALDH1A1HPGD
SCHEMBL7583005 0.83 DHODH (0.32) DHODHPDE2A

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